N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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