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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-4-nitro-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3-methyl-4-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c1-12-10-13(4-6-16(12)24(26)27)18(25)22-19(28)21-14-5-7-17(15(20)11-14)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H2,21,22,25,28)