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

Systemtic Name: N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-oxo-4-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-keto-4-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]butyl]thiophene-3-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCCNC(=O)C3=CSC=C3

InChI

InChI=1S/C22H29N3O2S/c1-18-5-7-19(8-6-18)16-24-11-3-12-25(14-13-24)21(26)4-2-10-23-22(27)20-9-15-28-17-20/h5-9,15,17H,2-4,10-14,16H2,1H3,(H,23,27)