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

Systemtic Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)thiocarbamoylamino]propionamide Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O3S/c1-26-16-8-4-14(5-9-16)22-19(27)23-17(18(25)21-11-10-20)12-13-2-6-15(24)7-3-13/h2-9,17,24H,11-12H2,1H3,(H,21,25)(H2,22,23,27)