[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]methanone

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(4-dimethylaminophenyl)carbothioylpiperazin-1-yl]methanone Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]methanone CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[(4-dimethylaminophenyl)-sulfanylidenemethyl]-1-piperazinyl]methanone IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[4-(dimethylamino)benzenecarbothioyl]piperazin-1-yl]methanone Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-[4-(dimethylamino)thiobenzoyl]piperazino]methanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-23(2)17-9-7-16(8-10-17)22(29)25-13-11-24(12-14-25)21(26)20-15-27-18-5-3-4-6-19(18)28-20/h3-10,20H,11-15H2,1-2H3/t20-/m1/s1