3-(ethylsulfanylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: 3-(ethylsulfanylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Openeye Name: 3-(ethylsulfanylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzofuran-2-carboxamide CAS Name: 3-[(ethylthio)methyl]-N-[4-(4-methyl-1-piperazinyl)phenyl]-2-benzofurancarboxamide IUPAC Name: 3-(ethylsulfanylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide Traditional Name: 3-[(ethylthio)methyl]-N-[4-(4-methylpiperazino)phenyl]coumarilamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-29-16-20-19-6-4-5-7-21(19)28-22(20)23(27)24-17-8-10-18(11-9-17)26-14-12-25(2)13-15-26/h4-11H,3,12-16H2,1-2H3,(H,24,27)