N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanamide

Systemtic Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanamide Openeye Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-N-(cyanomethyl)-3-(4-hydroxyphenyl)propanamide IUPAC Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-(phenylcarbamothioylamino)propanamide Traditional Name: N-(cyanomethyl)-3-(4-hydroxyphenyl)-2-(phenylthiocarbamoylamino)propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2S/c19-10-11-20-17(24)16(12-13-6-8-15(23)9-7-13)22-18(25)21-14-4-2-1-3-5-14/h1-9,16,23H,11-12H2,(H,20,24)(H2,21,22,25)