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

Systemtic Name: N-(cyanomethyl)-3-naphthalen-2-yl-2-[(4-nitrophenyl)carbamothioylamino]propanamide Openeye Name: N-(cyanomethyl)-3-(2-naphthyl)-2-[(4-nitrophenyl)carbamothioylamino]propanamide CAS Name: N-(cyanomethyl)-3-(2-naphthalenyl)-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]propanamide IUPAC Name: N-(cyanomethyl)-3-naphthalen-2-yl-2-[(4-nitrophenyl)carbamothioylamino]propanamide Traditional Name: N-(cyanomethyl)-3-(2-naphthyl)-2-[(4-nitrophenyl)thiocarbamoylamino]propionamide Formula: C22H19N5O3S MolecularWeight: 433.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCC#N)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3S/c23-11-12-24-21(28)20(14-15-5-6-16-3-1-2-4-17(16)13-15)26-22(31)25-18-7-9-19(10-8-18)27(29)30/h1-10,13,20H,12,14H2,(H,24,28)(H2,25,26,31)