N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(m-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-methylbenzyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c1-16-3-2-4-18(11-16)14-23-7-9-24(10-8-23)21(27)22-13-17-5-6-19-20(12-17)26-15-25-19/h2-6,11-12H,7-10,13-15H2,1H3,(H,22,27)