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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-pentylphenyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pentylphenyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pentylphenyl)propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-pentylphenyl)propanamide Traditional Name: N-(4-amylphenyl)-3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-2-3-4-7-16-10-12-17(13-11-16)23-20(25)14-15-22-21-18-8-5-6-9-19(18)28(26,27)24-21/h5-6,8-13H,2-4,7,14-15H2,1H3,(H,22,24)(H,23,25)