3-chloranyl-4-methoxy-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-methoxy-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-methoxy-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-methoxy-N-[[2-methyl-4-nitro-5-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-methoxy-N-[(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-methoxy-N-[(2-methyl-4-nitro-5-pyrrolidino-phenyl)thiocarbamoyl]benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)Cl)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-12-9-17(25(27)28)16(24-7-3-4-8-24)11-15(12)22-20(30)23-19(26)13-5-6-18(29-2)14(21)10-13/h5-6,9-11H,3-4,7-8H2,1-2H3,(H2,22,23,26,30)