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

Systemtic Name: methyl N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester Formula: C24H31N5O4S MolecularWeight: 485.59904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)N2CCCNCC2)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H31N5O4S/c1-33-24(32)26-19-17-18(22(30)28-10-3-8-25-9-13-28)6-7-20(19)27-11-4-12-29(15-14-27)23(31)21-5-2-16-34-21/h2,5-7,16-17,25H,3-4,8-15H2,1H3,(H,26,32)