N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]-3-chloranyl-N-cyclohexyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl]-3-chloranyl-N-cyclohexyl-1-benzothiophene-2-carboxamide Openeye Name: N-[[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl]-3-chloro-N-cyclohexyl-benzothiophene-2-carboxamide CAS Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexyl-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-3-chloro-N-cyclohexyl-benzothiophene-2-carboxamide Formula: C25H27ClN2O4S MolecularWeight: 487.01088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)CN(C2CCCCC2)C(=O)C3=C(C4=CC=CC=C4S3)Cl)OCC(=O)N

InChI

InChI=1S/C25H27ClN2O4S/c1-31-20-13-16(11-12-19(20)32-15-22(27)29)14-28(17-7-3-2-4-8-17)25(30)24-23(26)18-9-5-6-10-21(18)33-24/h5-6,9-13,17H,2-4,7-8,14-15H2,1H3,(H2,27,29)