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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-phenethyl-butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenethyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenethylbutanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenethylbutanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-phenethyl-butyramide Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)NCCC1=CC=CC=C1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C20H23N3O3S/c1-14(2)18(20(24)21-13-12-15-8-4-3-5-9-15)22-19-16-10-6-7-11-17(16)27(25,26)23-19/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)(H,22,23)