2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]benzamide

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]benzamide Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-N-[(3-methoxy-4-propoxy-phenyl)methyl]benzamide CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-N-(3-methoxy-4-propoxy-benzyl)benzamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C27H27N3O4S/c1-3-13-34-23-12-11-20(15-24(23)33-2)17-29-27(32)22-9-4-5-10-25(22)35-18-26(31)30-21-8-6-7-19(14-21)16-28/h4-12,14-15H,3,13,17-18H2,1-2H3,(H,29,32)(H,30,31)