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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-methoxyphenyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O3S/c1-24-17-4-2-3-16(12-17)22-7-9-23(10-8-22)20(27)21-13-15-5-6-18-19(11-15)26-14-25-18/h2-6,11-12H,7-10,13-14H2,1H3,(H,21,27)