N-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-tert-butylphenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-tert-butylphenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N3O3S/c1-24(2,3)17-8-10-18(11-9-17)25-23(31)27-14-12-26(13-15-27)22(28)21-16-29-19-6-4-5-7-20(19)30-21/h4-11,21H,12-16H2,1-3H3,(H,25,31)