(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(m-tolyl)piperazine-1-carbothioamide CAS Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(m-tolyl)piperazine-1-carbothioamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C[C@@H]1CN(CCN1C2=CC=CC(=C2)C)C(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H25N3O2S/c1-15-4-3-5-18(12-15)24-9-8-23(14-16(24)2)21(27)22-17-6-7-19-20(13-17)26-11-10-25-19/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,22,27)/t16-/m1/s1