(2S)-3-phenyl-2-[(phenylmethyl)carbamothioylamino]-N-pyridin-4-yl-propanamide

Systemtic Name: (2S)-3-phenyl-2-[(phenylmethyl)carbamothioylamino]-N-pyridin-4-yl-propanamide Openeye Name: (2S)-2-(benzylcarbamothioylamino)-3-phenyl-N-(4-pyridyl)propanamide CAS Name: (2S)-3-phenyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-N-pyridin-4-ylpropanamide IUPAC Name: (2S)-2-(benzylcarbamothioylamino)-3-phenyl-N-pyridin-4-ylpropanamide Traditional Name: (2S)-2-(benzylthiocarbamoylamino)-3-phenyl-N-(4-pyridyl)propionamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=NC=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC=NC=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4OS/c27-21(25-19-11-13-23-14-12-19)20(15-17-7-3-1-4-8-17)26-22(28)24-16-18-9-5-2-6-10-18/h1-14,20H,15-16H2,(H,23,25,27)(H2,24,26,28)/t20-/m0/s1