3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-iodanylphenyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-iodanylphenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-iodophenyl)propionamide Formula: C16H14IN3O3S MolecularWeight: 455.27013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C16H14IN3O3S/c17-11-4-3-5-12(10-11)19-15(21)8-9-18-16-13-6-1-2-7-14(13)24(22,23)20-16/h1-7,10H,8-9H2,(H,18,20)(H,19,21)