N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3OS/c1-13-8-9-15(12-14(13)2)19(25)23-20(26)22-17-7-5-6-16(21)18(17)24-10-3-4-11-24/h5-9,12H,3-4,10-11H2,1-2H3,(H2,22,23,25,26)