2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-methoxy-phenyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-methoxy-phenyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-methoxy-phenyl)-5-(2-thienylmethylene)imidazol-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3-chloro-4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)-4-imidazolone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-methoxyphenyl)-5-(thiophen-2-ylmethylidene)imidazol-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3-chloro-4-methoxy-phenyl)-5-(2-thenylidene)-2-imidazolin-4-one Formula: C23H24ClN3O3S2 MolecularWeight: 490.03796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CS3)N=C2SCC(=O)N4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC=CS3)N=C2SCC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H24ClN3O3S2/c1-30-20-9-8-16(13-18(20)24)27-22(29)19(14-17-7-6-12-31-17)25-23(27)32-15-21(28)26-10-4-2-3-5-11-26/h6-9,12-14H,2-5,10-11,15H2,1H3