N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-4-pentyl-N-phenethyl-benzamide

Systemtic Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]-4-pentyl-N-phenethyl-benzamide Openeye Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxo-propyl]-4-pentyl-N-phenethyl-benzamide CAS Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-pentyl-N-phenethylbenzamide IUPAC Name: N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-4-pentyl-N-phenethylbenzamide Traditional Name: 4-amyl-N-[3-[[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]amino]-3-keto-propyl]-N-phenethyl-benzamide Formula: C31H33BrN4O2S MolecularWeight: 605.58832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)CCC(=O)NC3=NN=C(S3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H33BrN4O2S/c1-2-3-5-8-24-11-13-26(14-12-24)30(38)36(21-19-23-9-6-4-7-10-23)22-20-28(37)33-31-35-34-29(39-31)25-15-17-27(32)18-16-25/h4,6-7,9-18H,2-3,5,8,19-22H2,1H3,(H,33,35,37)