N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

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