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

Systemtic Name: methyl N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbamate Openeye Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamate Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(2-thenoyl)piperazino]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)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

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