2-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 2-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(4-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[(4-pyrrolidinophenyl)thiocarbamoyl]benzamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C19H20N4O3S/c1-13-16(5-4-6-17(13)23(25)26)18(24)21-19(27)20-14-7-9-15(10-8-14)22-11-2-3-12-22/h4-10H,2-3,11-12H2,1H3,(H2,20,21,24,27)