2-[1-[(3,4-dichlorophenyl)carbamothioyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[1-[(3,4-dichlorophenyl)carbamothioyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanoic acid Openeye Name: 2-[1-[(3,4-dichlorophenyl)carbamothioyl]-4-piperidyl]-2-[4-(1H-indol-3-yl)-1-piperidyl]acetic acid CAS Name: 2-[1-[(3,4-dichloroanilino)-sulfanylidenemethyl]-4-piperidinyl]-2-[4-(1H-indol-3-yl)-1-piperidinyl]acetic acid IUPAC Name: 2-[1-[(3,4-dichlorophenyl)carbamothioyl]piperidin-4-yl]-2-[4-(1H-indol-3-yl)piperidin-1-yl]acetic acid Traditional Name: 2-[1-[(3,4-dichlorophenyl)thiocarbamoyl]-4-piperidyl]-2-[4-(1H-indol-3-yl)piperidino]acetic acid Formula: C27H30Cl2N4O2S MolecularWeight: 545.5237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CNC3=CC=CC=C32)C(C4CCN(CC4)C(=S)NC5=CC(=C(C=C5)Cl)Cl)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=CNC3=CC=CC=C32)C(C4CCN(CC4)C(=S)NC5=CC(=C(C=C5)Cl)Cl)C(=O)O

InChI

InChI=1S/C27H30Cl2N4O2S/c28-22-6-5-19(15-23(22)29)31-27(36)33-13-9-18(10-14-33)25(26(34)35)32-11-7-17(8-12-32)21-16-30-24-4-2-1-3-20(21)24/h1-6,15-18,25,30H,7-14H2,(H,31,36)(H,34,35)