N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]sulfanyl-propanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]sulfanyl-propanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]thio]propanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[3-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]sulfanylpropanamide Traditional Name: 3-[[3-keto-3-[(6-mesyl-1,3-benzothiazol-2-yl)amino]propyl]thio]-N-(6-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H22N4O6S5 MolecularWeight: 598.75828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCSCCC(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H22N4O6S5/c1-36(29,30)13-3-5-15-17(11-13)34-21(23-15)25-19(27)7-9-33-10-8-20(28)26-22-24-16-6-4-14(37(2,31)32)12-18(16)35-22/h3-6,11-12H,7-10H2,1-2H3,(H,23,25,27)(H,24,26,28)