N-[2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]thiophene-2-carboxamide Openeye Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-p-anisyl-1,4-diazepane-1-carbonyl)phenyl]thiophene-2-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H27N3O3S/c1-31-20-11-9-19(10-12-20)18-27-13-5-14-28(16-15-27)25(30)21-6-2-3-7-22(21)26-24(29)23-8-4-17-32-23/h2-4,6-12,17H,5,13-16,18H2,1H3,(H,26,29)