4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-[(4-dimethylaminophenyl)methyl]piperazine-1-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazine-1-carboxamide Traditional Name: 4-(1,1-diketo-1,2-benzothiazol-3-yl)-N-[4-(dimethylamino)benzyl]piperazine-1-carboxamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)N2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3S/c1-24(2)17-9-7-16(8-10-17)15-22-21(27)26-13-11-25(12-14-26)20-18-5-3-4-6-19(18)30(28,29)23-20/h3-10H,11-15H2,1-2H3,(H,22,27)