N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-(1-phenylethyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

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