4-[[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-amino]methyl]-N-methyl-benzamide

Systemtic Name: 4-[[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-methyl-amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-methyl-amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide Traditional Name: 4-[[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-methyl-amino]methyl]-N-methyl-benzamide Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(C)CCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(C)CCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H20N4O2S/c1-20-17(24)14-5-3-13(4-6-14)12-22(2)9-7-16(23)21-18-15(11-19)8-10-25-18/h3-6,8,10H,7,9,12H2,1-2H3,(H,20,24)(H,21,23)