N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N(C)CC(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S2/c1-11-10-27-17(19-11)28-14-7-6-12(8-13(14)22(25)26)16(24)21(5)9-15(23)20-18(2,3)4/h6-8,10H,9H2,1-5H3,(H,20,23)