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

Systemtic Name: 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-phenethyl-butanamide Openeye Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-butanamide CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethylbutanamide IUPAC Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-phenethylbutanamide Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-phenethyl-butyramide Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H21N3O3S/c23-18(20-14-12-15-7-2-1-3-8-15)11-6-13-21-19-16-9-4-5-10-17(16)26(24,25)22-19/h1-5,7-10H,6,11-14H2,(H,20,23)(H,21,22)