N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-2,6-dimethoxybenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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