N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-bis(oxidanylidene)-N-(phenylmethyl)thiolane-3-carboxamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-bis(oxidanylidene)-N-(phenylmethyl)thiolane-3-carboxamide Openeye Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-dioxo-thiolane-3-carboxamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-dioxo-N-(phenylmethyl)-3-thiolanecarboxamide IUPAC Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide Traditional Name: N-benzyl-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,1-diketo-thiolane-3-carboxamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCS(=O)(=O)C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCS(=O)(=O)C4)C

InChI

InChI=1S/C21H22N2O3S2/c1-14-10-15(2)19-18(11-14)22-21(27-19)23(12-16-6-4-3-5-7-16)20(24)17-8-9-28(25,26)13-17/h3-7,10-11,17H,8-9,12-13H2,1-2H3