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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-28-18-11-14(12-19(29-2)20(18)30-3)21(27)25-22(31)24-15-7-8-17(16(23)13-15)26-9-5-4-6-10-26/h7-8,11-13H,4-6,9-10H2,1-3H3,(H2,24,25,27,31)