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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-N-(4-propan-2-ylphenyl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(4-isopropylphenyl)-4-methylsulfanyl-butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-(4-propan-2-ylphenyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-N-(4-propan-2-ylphenyl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-N-p-cumenyl-butyramide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(CCSC)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C(CCSC)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S2/c1-14(2)15-8-10-16(11-9-15)22-21(25)18(12-13-28-3)23-20-17-6-4-5-7-19(17)29(26,27)24-20/h4-11,14,18H,12-13H2,1-3H3,(H,22,25)(H,23,24)