N-[[4-[4-[3-(3-anthracen-9-ylpropylamino)propylamino]-4-oxidanylidene-butoxy]-2-methoxy-phenyl]methyl]-N-phenethyl-4-thiophen-2-yl-benzamide

Systemtic Name: N-[[4-[4-[3-(3-anthracen-9-ylpropylamino)propylamino]-4-oxidanylidene-butoxy]-2-methoxy-phenyl]methyl]-N-phenethyl-4-thiophen-2-yl-benzamide Openeye Name: N-[[4-[4-[3-[3-(9-anthryl)propylamino]propylamino]-4-oxo-butoxy]-2-methoxy-phenyl]methyl]-N-phenethyl-4-(2-thienyl)benzamide CAS Name: N-[[4-[4-[3-[3-(9-anthracenyl)propylamino]propylamino]-4-oxobutoxy]-2-methoxyphenyl]methyl]-N-phenethyl-4-thiophen-2-ylbenzamide IUPAC Name: N-[[4-[4-[3-(3-anthracen-9-ylpropylamino)propylamino]-4-oxobutoxy]-2-methoxyphenyl]methyl]-N-phenethyl-4-thiophen-2-ylbenzamide Traditional Name: N-[4-[4-[3-[3-(9-anthryl)propylamino]propylamino]-4-keto-butoxy]-2-methoxy-benzyl]-N-phenethyl-4-(2-thienyl)benzamide Formula: C51H53N3O4S MolecularWeight: 804.04922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCCCC(=O)NCCCNCCCC2=C3C=CC=CC3=CC4=CC=CC=C42)CN(CCC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C7=CC=CS7

Isomeric SMILES

COC1=C(C=CC(=C1)OCCCC(=O)NCCCNCCCC2=C3C=CC=CC3=CC4=CC=CC=C42)CN(CCC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)C7=CC=CS7

InChI

InChI=1S/C51H53N3O4S/c1-57-48-36-44(27-26-43(48)37-54(32-28-38-13-3-2-4-14-38)51(56)40-24-22-39(23-25-40)49-20-11-34-59-49)58-33-10-21-50(55)53-31-12-30-52-29-9-19-47-45-17-7-5-15-41(45)35-42-16-6-8-18-46(42)47/h2-8,11,13-18,20,22-27,34-36,52H,9-10,12,19,21,28-33,37H2,1H3,(H,53,55)