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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-(4-phenylazanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-anilinophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-anilinophenyl)-4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-anilinophenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-anilinophenyl)-4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbothioamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=S)NC4=CC=C(C=C4)NC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c31-25(24-18-32-22-8-4-5-9-23(22)33-24)29-14-16-30(17-15-29)26(34)28-21-12-10-20(11-13-21)27-19-6-2-1-3-7-19/h1-13,24,27H,14-18H2,(H,28,34)