N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]thiophene-3-carboxamide Openeye Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxo-propyl]thiophene-3-carboxamide CAS Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]thiophene-3-carboxamide Traditional Name: N-[3-keto-3-(4-p-anisyl-1,4-diazepan-1-yl)propyl]thiophene-3-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCNC(=O)C3=CSC=C3

InChI

InChI=1S/C21H27N3O3S/c1-27-19-5-3-17(4-6-19)15-23-10-2-11-24(13-12-23)20(25)7-9-22-21(26)18-8-14-28-16-18/h3-6,8,14,16H,2,7,9-13,15H2,1H3,(H,22,26)