N-(2,6-diethylphenyl)-2-[4-(3-methylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(3-methylthiophen-2-yl)carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)-1,4-diazepan-1-yl]acetamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C23H31N3O2S/c1-4-18-8-6-9-19(5-2)21(18)24-20(27)16-25-11-7-12-26(14-13-25)23(28)22-17(3)10-15-29-22/h6,8-10,15H,4-5,7,11-14,16H2,1-3H3,(H,24,27)