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

Systemtic Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-(4-p-anisyl-1,4-diazepan-1-yl)butyl]thiophene-3-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-28-20-7-5-18(6-8-20)16-24-11-3-12-25(14-13-24)21(26)4-2-10-23-22(27)19-9-15-29-17-19/h5-9,15,17H,2-4,10-14,16H2,1H3,(H,23,27)