2-[(4-chlorophenyl)carbamothioylamino]-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-2-phenyl-ethanamide

Systemtic Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-2-phenyl-ethanamide Openeye Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-[4-[4-(1-methyl-4-piperidyl)piperazin-1-yl]phenyl]-2-phenyl-acetamide CAS Name: 2-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-N-[4-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]phenyl]-2-phenylacetamide IUPAC Name: 2-[(4-chlorophenyl)carbamothioylamino]-N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-2-phenylacetamide Traditional Name: 2-[(4-chlorophenyl)thiocarbamoylamino]-N-[4-[4-(1-methyl-4-piperidyl)piperazino]phenyl]-2-phenyl-acetamide Formula: C31H37ClN6OS MolecularWeight: 577.18308

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C(C4=CC=CC=C4)NC(=S)NC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C(C4=CC=CC=C4)NC(=S)NC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H37ClN6OS/c1-36-17-15-28(16-18-36)38-21-19-37(20-22-38)27-13-11-25(12-14-27)33-30(39)29(23-5-3-2-4-6-23)35-31(40)34-26-9-7-24(32)8-10-26/h2-14,28-29H,15-22H2,1H3,(H,33,39)(H2,34,35,40)