2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[2-(2-thienyl)ethyl]butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(2-thiophen-2-ylethyl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-[2-(2-thienyl)ethyl]butyramide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CS1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=CS1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H21N3O3S2/c1-12(2)16(18(22)19-10-9-13-6-5-11-25-13)20-17-14-7-3-4-8-15(14)26(23,24)21-17/h3-8,11-12,16H,9-10H2,1-2H3,(H,19,22)(H,20,21)