2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-methylphenyl)carbonyl-1,4-diazepan-1-yl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-[(3-methylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-m-toluoyl-1,4-diazepan-1-yl)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C24H30N4O3S MolecularWeight: 454.585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H30N4O3S/c1-19-5-2-6-20(17-19)23(30)27-9-4-8-25(10-11-27)18-22(29)26-12-14-28(15-13-26)24(31)21-7-3-16-32-21/h2-3,5-7,16-17H,4,8-15,18H2,1H3