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

Systemtic Name: 2-methyl-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[(2-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=CC=C2N3CCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C19H20N4O3S/c1-13-14(7-6-10-16(13)23(25)26)18(24)21-19(27)20-15-8-2-3-9-17(15)22-11-4-5-12-22/h2-3,6-10H,4-5,11-12H2,1H3,(H2,20,21,24,27)