N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]cyclopropanecarboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]cyclopropanecarboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]cyclopropanecarboxamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5CC5

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5CC5

InChI

InChI=1S/C25H31N5O3S/c31-23(18-4-5-18)27-20-17-19(24(32)29-10-2-8-26-9-11-29)6-7-21(20)28-12-14-30(15-13-28)25(33)22-3-1-16-34-22/h1,3,6-7,16-18,26H,2,4-5,8-15H2,(H,27,31)