N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenoxyethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-phenoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-phenoxyethyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O3S/c28-21(22-15-17-6-7-19-20(14-17)27-16-26-19)24-10-8-23(9-11-24)12-13-25-18-4-2-1-3-5-18/h1-7,14H,8-13,15-16H2,(H,22,28)