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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3-methyl-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methylbenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3-methyl-benzamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C19H20ClN3OS/c1-13-5-4-6-14(11-13)18(24)22-19(25)21-15-7-8-17(16(20)12-15)23-9-2-3-10-23/h4-8,11-12H,2-3,9-10H2,1H3,(H2,21,22,24,25)