N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O2S/c1-15-3-4-16(2)18(13-15)23-7-9-24(10-8-23)21(27)22-17-5-6-19-20(14-17)26-12-11-25-19/h3-6,13-14H,7-12H2,1-2H3,(H,22,27)