[3-tert-butyl-4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-7-yl]-phenyl-methanone

Systemtic Name: [3-tert-butyl-4-chloranyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-7-yl]-phenyl-methanone Openeye Name: (3-tert-butyl-4-chloro-1,1-dioxo-1,2-benzothiazol-7-yl)-phenyl-methanone CAS Name: (3-tert-butyl-4-chloro-1,1-dioxo-1,2-benzothiazol-7-yl)-phenylmethanone IUPAC Name: (3-tert-butyl-4-chloro-1,1-dioxo-1,2-benzothiazol-7-yl)-phenylmethanone Traditional Name: (3-tert-butyl-4-chloro-1,1-diketo-1,2-benzothiazol-7-yl)-phenyl-methanone Formula: C18H16ClNO3S MolecularWeight: 361.84254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NS(=O)(=O)C2=C(C=CC(=C21)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NS(=O)(=O)C2=C(C=CC(=C21)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H16ClNO3S/c1-18(2,3)17-14-13(19)10-9-12(16(14)24(22,23)20-17)15(21)11-7-5-4-6-8-11/h4-10H,1-3H3