N-(6-azanylhexyl)-N-(2-iodanylethanoyl)-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Systemtic Name: N-(6-azanylhexyl)-N-(2-iodanylethanoyl)-5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Openeye Name: N-(6-aminohexyl)-N-(2-iodoacetyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide CAS Name: N-(6-aminohexyl)-N-(2-iodo-1-oxoethyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide IUPAC Name: N-(6-aminohexyl)-N-(2-iodoacetyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide Traditional Name: N-(6-aminohexyl)-N-(2-iodoacetyl)-5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeramide Formula: C18H31IN4O3S MolecularWeight: 510.43321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)N(CCCCCCN)C(=O)CI)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)CCCCC(=O)N(CCCCCCN)C(=O)CI)NC(=O)N2

InChI

InChI=1S/C18H31IN4O3S/c19-11-16(25)23(10-6-2-1-5-9-20)15(24)8-4-3-7-14-17-13(12-27-14)21-18(26)22-17/h13-14,17H,1-12,20H2,(H2,21,22,26)