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

Systemtic Name: 4-[[[3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-propyl]-(furan-2-ylmethyl)amino]methyl]-N-methyl-benzamide Openeye Name: 4-[[[3-[(3-cyano-2-thienyl)amino]-3-oxo-propyl]-(2-furylmethyl)amino]methyl]-N-methyl-benzamide CAS Name: 4-[[[3-[(3-cyano-2-thiophenyl)amino]-3-oxopropyl]-(2-furanylmethyl)amino]methyl]-N-methylbenzamide IUPAC Name: 4-[[[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-(furan-2-ylmethyl)amino]methyl]-N-methylbenzamide Traditional Name: 4-[[[3-[(3-cyano-2-thienyl)amino]-3-keto-propyl]-(2-furfuryl)amino]methyl]-N-methyl-benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CN(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)CN(CCC(=O)NC2=C(C=CS2)C#N)CC3=CC=CO3

InChI

InChI=1S/C22H22N4O3S/c1-24-21(28)17-6-4-16(5-7-17)14-26(15-19-3-2-11-29-19)10-8-20(27)25-22-18(13-23)9-12-30-22/h2-7,9,11-12H,8,10,14-15H2,1H3,(H,24,28)(H,25,27)