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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-(3-methylbenzyl)piperazine-1-carbothioamide Formula: C25H35N3O2S MolecularWeight: 441.6293

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O2S/c1-4-29-23-10-9-21(18-24(23)30-5-2)11-12-26-25(31)28-15-13-27(14-16-28)19-22-8-6-7-20(3)17-22/h6-10,17-18H,4-5,11-16,19H2,1-3H3,(H,26,31)