4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]-N-(3-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(m-tolyl)piperazine-1-carbothioamide CAS Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-N-(3-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]-N-(3-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]-N-(m-tolyl)piperazine-1-carbothioamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3S/c1-15-5-4-6-16(13-15)22-21(28)24-11-9-23(10-12-24)20(25)19-14-26-17-7-2-3-8-18(17)27-19/h2-8,13,19H,9-12,14H2,1H3,(H,22,28)/t19-/m1/s1