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

Systemtic Name: N-(1-adamantylmethyl)-2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-butanamide Openeye Name: N-(1-adamantylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-butanamide CAS Name: N-(1-adamantylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butanamide IUPAC Name: N-(1-adamantylmethyl)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanylbutanamide Traditional Name: N-(1-adamantylmethyl)-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)butyramide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CSCCC(C(=O)NCC12CC3CC(C1)CC(C3)C2)NC4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C23H31N3O3S2/c1-30-7-6-19(25-21-18-4-2-3-5-20(18)31(28,29)26-21)22(27)24-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17,19H,6-14H2,1H3,(H,24,27)(H,25,26)