N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)CCC2=CC=CC=C2Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)CCC2=CC=CC=C2Cl

InChI

InChI=1S/C20H22ClN3O2S/c21-17-9-5-4-8-16(17)10-11-19(26)23-20(27)24(13-12-18(22)25)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,22,25)(H,23,26,27)