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

Systemtic Name: N-[(3-chloranyl-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[(3-chloro-4-pyrrolidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-4-pyrrolidino-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C21H24ClN3O4S MolecularWeight: 449.95096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCC3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-27-17-10-13(11-18(28-2)19(17)29-3)20(26)24-21(30)23-14-6-7-16(15(22)12-14)25-8-4-5-9-25/h6-7,10-12H,4-5,8-9H2,1-3H3,(H2,23,24,26,30)