N-[(4-dimethylaminophenyl)carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[4-(dimethylamino)anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(4-dimethylaminophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(4-dimethylaminophenyl)thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O3S/c1-11-4-5-12(10-15(11)21(23)24)16(22)19-17(25)18-13-6-8-14(9-7-13)20(2)3/h4-10H,1-3H3,(H2,18,19,22,25)