1-benzothiophen-2-yl N-[1-[[1-(cyclohexylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate

Systemtic Name: 1-benzothiophen-2-yl N-[1-[[1-(cyclohexylmethyl)piperidin-4-yl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate Openeye Name: benzothiophen-2-yl N-[1-[[1-(cyclohexylmethyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamate CAS Name: N-[1-[[[[[1-(cyclohexylmethyl)-4-piperidinyl]methylamino]-oxomethyl]-phenethylamino]-oxomethyl]cyclopentyl]carbamic acid 1-benzothiophen-2-yl ester IUPAC Name: 1-benzothiophen-2-yl N-[1-[[1-(cyclohexylmethyl)piperidin-4-yl]methylcarbamoyl-phenethylcarbamoyl]cyclopentyl]carbamate Traditional Name: N-[1-[[1-(cyclohexylmethyl)-4-piperidyl]methylcarbamoyl-phenethyl-carbamoyl]cyclopentyl]carbamic acid benzothiophen-2-yl ester Formula: C37H48N4O4S MolecularWeight: 644.86642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2CCC(CC2)CNC(=O)N(CCC3=CC=CC=C3)C(=O)C4(CCCC4)NC(=O)OC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(CC1)CN2CCC(CC2)CNC(=O)N(CCC3=CC=CC=C3)C(=O)C4(CCCC4)NC(=O)OC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C37H48N4O4S/c42-34(37(20-9-10-21-37)39-36(44)45-33-25-31-15-7-8-16-32(31)46-33)41(24-19-28-11-3-1-4-12-28)35(43)38-26-29-17-22-40(23-18-29)27-30-13-5-2-6-14-30/h1,3-4,7-8,11-12,15-16,25,29-30H,2,5-6,9-10,13-14,17-24,26-27H2,(H,38,43)(H,39,44)