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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O2S/c27-21(22-15-18-6-7-19-20(14-18)26-16-25-19)24-12-10-23(11-13-24)9-8-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,22,27)