4-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-[2-(3,4-diethoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chlorobenzyl)-N-[2-(3,4-diethoxyphenyl)ethyl]piperazine-1-carbothioamide Formula: C24H32ClN3O2S MolecularWeight: 462.04778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)N2CCN(CC2)CC3=CC(=CC=C3)Cl)OCC

InChI

InChI=1S/C24H32ClN3O2S/c1-3-29-22-9-8-19(17-23(22)30-4-2)10-11-26-24(31)28-14-12-27(13-15-28)18-20-6-5-7-21(25)16-20/h5-9,16-17H,3-4,10-15,18H2,1-2H3,(H,26,31)