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

Systemtic Name: N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCCCC3)Cl)OCC

InChI

InChI=1S/C23H28ClN3O3S/c1-3-29-18-12-16(13-19(15-18)30-4-2)22(28)26-23(31)25-17-8-9-21(20(24)14-17)27-10-6-5-7-11-27/h8-9,12-15H,3-7,10-11H2,1-2H3,(H2,25,26,28,31)