2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[cyclopropyl(p-anisyl)amino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CC4

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C4CC4

InChI

InChI=1S/C22H27N3O3S/c1-28-19-8-4-17(5-9-19)15-25(18-6-7-18)16-21(26)23-10-12-24(13-11-23)22(27)20-3-2-14-29-20/h2-5,8-9,14,18H,6-7,10-13,15-16H2,1H3