1-(2-azanyl-1,3-benzothiazol-5-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione

Systemtic Name: 1-(2-azanyl-1,3-benzothiazol-5-yl)-2-[2-methyl-4-(phenylcarbonyl)piperazin-1-yl]ethane-1,2-dione Openeye Name: 1-(2-amino-1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methyl-piperazin-1-yl)ethane-1,2-dione CAS Name: 1-(2-amino-1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methyl-1-piperazinyl)ethane-1,2-dione IUPAC Name: 1-(2-amino-1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methylpiperazin-1-yl)ethane-1,2-dione Traditional Name: 1-(2-amino-1,3-benzothiazol-5-yl)-2-(4-benzoyl-2-methyl-piperazino)ethane-1,2-dione Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(=O)C2=CC3=C(C=C2)SC(=N3)N)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C(=O)C2=CC3=C(C=C2)SC(=N3)N)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3S/c1-13-12-24(19(27)14-5-3-2-4-6-14)9-10-25(13)20(28)18(26)15-7-8-17-16(11-15)23-21(22)29-17/h2-8,11,13H,9-10,12H2,1H3,(H2,22,23)