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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(4-butylphenyl)propanamide Openeye Name: N-(4-butylphenyl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide CAS Name: N-(4-butylphenyl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide IUPAC Name: N-(4-butylphenyl)-3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanamide Traditional Name: N-(4-butylphenyl)-3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionamide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)13-14-21-20-17-7-4-5-8-18(17)27(25,26)23-20/h4-5,7-12H,2-3,6,13-14H2,1H3,(H,21,23)(H,22,24)