N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-naphthalen-2-yl-propanamide

Systemtic Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-naphthalen-2-yl-propanamide Openeye Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-(2-naphthyl)propanamide CAS Name: N-(cyanomethyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-(2-naphthalenyl)propanamide IUPAC Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-naphthalen-2-ylpropanamide Traditional Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]-3-(2-naphthyl)propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NCC#N

InChI

InChI=1S/C23H22N4O2S/c1-29-20-10-8-19(9-11-20)26-23(30)27-21(22(28)25-13-12-24)15-16-6-7-17-4-2-3-5-18(17)14-16/h2-11,14,21H,13,15H2,1H3,(H,25,28)(H2,26,27,30)