(5-methyl-2-propan-2-yl-cyclohexyl) N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-oxo-ethyl]carbamate CAS Name: N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]carbamic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) N-[3-(1-benzothiophen-3-yl)-1-(2-cyanoethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(benzothiophen-3-ylmethyl)-2-(2-cyanoethylamino)-2-keto-ethyl]carbamic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)NCCC#N)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)NC(CC2=CSC3=CC=CC=C32)C(=O)NCCC#N)C(C)C

InChI

InChI=1S/C25H33N3O3S/c1-16(2)19-10-9-17(3)13-22(19)31-25(30)28-21(24(29)27-12-6-11-26)14-18-15-32-23-8-5-4-7-20(18)23/h4-5,7-8,15-17,19,21-22H,6,9-10,12-14H2,1-3H3,(H,27,29)(H,28,30)