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

Systemtic Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-phenyl-propanamide Openeye Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-phenyl-propanamide CAS Name: N-(cyanomethyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-3-phenylpropanamide IUPAC Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)carbamothioylamino]-3-phenylpropanamide Traditional Name: N-(cyanomethyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]-3-phenyl-propionamide Formula: C19H20N4O2S MolecularWeight: 368.4527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2S/c1-25-16-9-7-15(8-10-16)22-19(26)23-17(18(24)21-12-11-20)13-14-5-3-2-4-6-14/h2-10,17H,12-13H2,1H3,(H,21,24)(H2,22,23,26)