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

Systemtic Name: N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]-3-phenyl-propanamide Openeye Name: N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]-3-phenyl-propanamide CAS Name: N-(cyanomethyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-phenylpropanamide IUPAC Name: N-(cyanomethyl)-2-[(4-nitrophenyl)carbamothioylamino]-3-phenylpropanamide Traditional Name: N-(cyanomethyl)-2-[(4-nitrophenyl)thiocarbamoylamino]-3-phenyl-propionamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NCC#N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c19-10-11-20-17(24)16(12-13-4-2-1-3-5-13)22-18(27)21-14-6-8-15(9-7-14)23(25)26/h1-9,16H,11-12H2,(H,20,24)(H2,21,22,27)