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

Systemtic Name: N-[(3-chloranyl-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(3-chloro-2-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(3-chloro-2-pyrrolidino-phenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCC3)OC

InChI

InChI=1S/C20H22ClN3O3S/c1-26-16-9-8-13(12-17(16)27-2)19(25)23-20(28)22-15-7-5-6-14(21)18(15)24-10-3-4-11-24/h5-9,12H,3-4,10-11H2,1-2H3,(H2,22,23,25,28)