N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-12-14(8-5-9-15(12)20(22)23)18-17(24)19-16(21)11-10-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H2,18,19,21,24)