3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-iodanyl-4-methyl-phenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-iodanyl-4-methyl-phenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodo-4-methyl-phenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodo-4-methylphenyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodo-4-methylphenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-iodo-4-methyl-phenyl)propionamide Formula: C17H16IN3O3S MolecularWeight: 469.29671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32)I

InChI

InChI=1S/C17H16IN3O3S/c1-11-6-7-12(10-14(11)18)20-16(22)8-9-19-17-13-4-2-3-5-15(13)25(23,24)21-17/h2-7,10H,8-9H2,1H3,(H,19,21)(H,20,22)