N-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(2,5-dimethylphenyl)-1,1-bis(oxidanylidene)thiane-4-carboxamide hydrochloride

Systemtic Name: N-[2-[[4-(2-azanyl-1,3-thiazol-4-yl)phenyl]amino]-2-oxidanylidene-ethyl]-N-(2,5-dimethylphenyl)-1,1-bis(oxidanylidene)thiane-4-carboxamide hydrochloride Openeye Name: N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-N-(2,5-dimethylphenyl)-1,1-dioxo-thiane-4-carboxamide hydrochloride CAS Name: N-[2-[4-(2-amino-4-thiazolyl)anilino]-2-oxoethyl]-N-(2,5-dimethylphenyl)-1,1-dioxo-4-thianecarboxamide hydrochloride IUPAC Name: N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(2,5-dimethylphenyl)-1,1-dioxothiane-4-carboxamide hydrochloride Traditional Name: N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-keto-ethyl]-N-(2,5-dimethylphenyl)-1,1-diketo-thiane-4-carboxamide hydrochloride Formula: C25H29ClN4O4S2 MolecularWeight: 549.10516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCS(=O)(=O)CC4.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4CCS(=O)(=O)CC4.Cl

InChI

InChI=1S/C25H28N4O4S2.ClH/c1-16-3-4-17(2)22(13-16)29(24(31)19-9-11-35(32,33)12-10-19)14-23(30)27-20-7-5-18(6-8-20)21-15-34-25(26)28-21;/h3-8,13,15,19H,9-12,14H2,1-2H3,(H2,26,28)(H,27,30);1H