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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-N-(4-propylphenyl)butanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-propylphenyl)butanamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-propylphenyl)butanamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-propylphenyl)butanamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-N-(4-propylphenyl)butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-4-7-15-10-12-16(13-11-15)22-21(25)19(14(2)3)23-20-17-8-5-6-9-18(17)28(26,27)24-20/h5-6,8-14,19H,4,7H2,1-3H3,(H,22,25)(H,23,24)