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

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)-N-phenyl-piperazine-1-carbothioamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c24-19(18-14-25-16-8-4-5-9-17(16)26-18)22-10-12-23(13-11-22)20(27)21-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,27)