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

Systemtic Name: methyl N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)piperazino]phenyl]carbamic acid methyl ester Formula: C23H29N5O4S MolecularWeight: 471.57246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H29N5O4S/c1-32-23(31)25-18-16-17(21(29)27-9-3-7-24-8-10-27)5-6-19(18)26-11-13-28(14-12-26)22(30)20-4-2-15-33-20/h2,4-6,15-16,24H,3,7-14H2,1H3,(H,25,31)