N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(2-methyl-4-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(2-methyl-4-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(2-methyl-4-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/c1-12-11-14(20(22)23)8-9-15(12)18-17(24)19-16(21)10-7-13-5-3-2-4-6-13/h2-6,8-9,11H,7,10H2,1H3,(H2,18,19,21,24)