2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)ethanamide

Systemtic Name: 2-[1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indol-3-yl]sulfanyl-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[1-[2-(azepan-1-yl)-2-oxo-ethyl]indol-3-yl]sulfanyl-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[[1-[2-(1-azepanyl)-2-oxoethyl]-3-indolyl]thio]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[[1-[2-(azepan-1-yl)-2-keto-ethyl]indol-3-yl]thio]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C25H28ClN3O3S MolecularWeight: 486.02612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H28ClN3O3S/c1-32-22-11-10-18(26)14-20(22)27-24(30)17-33-23-15-29(21-9-5-4-8-19(21)23)16-25(31)28-12-6-2-3-7-13-28/h4-5,8-11,14-15H,2-3,6-7,12-13,16-17H2,1H3,(H,27,30)