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

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonyl-1,4-diazepan-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-thenoyl)-1,4-diazepan-1-yl]phenyl]carbamic acid methyl ester Formula: C25H33N5O4S MolecularWeight: 499.62562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H33N5O4S/c1-34-25(33)28-20-16-17(23(31)27-19-8-6-18(26)7-9-19)5-10-21(20)29-11-3-12-30(14-13-29)24(32)22-4-2-15-35-22/h2,4-5,10,15-16,18-19H,3,6-9,11-14,26H2,1H3,(H,27,31)(H,28,33)