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

Systemtic Name: 4-(1,3-benzodioxol-4-ylmethyl)-N-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-acetylphenyl)-4-(1,3-benzodioxol-4-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-acetylphenyl)-4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-acetylphenyl)-4-(1,3-benzodioxol-4-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-(4-acetylphenyl)-4-(1,3-benzodioxol-4-ylmethyl)piperazine-1-carbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H23N3O3S/c1-15(25)16-5-7-18(8-6-16)22-21(28)24-11-9-23(10-12-24)13-17-3-2-4-19-20(17)27-14-26-19/h2-8H,9-14H2,1H3,(H,22,28)