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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl

InChI

InChI=1S/C25H32ClN3O4S/c1-4-31-21-14-17(15-22(32-5-2)23(21)33-6-3)24(30)28-25(34)27-18-10-11-20(19(26)16-18)29-12-8-7-9-13-29/h10-11,14-16H,4-9,12-13H2,1-3H3,(H2,27,28,30,34)