[2-[[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-[[4-(dimethylamino)-4-thiophen-2-yl-cyclohexyl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: [2-[[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]amino]-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-[[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[4-(dimethylamino)-4-thiophen-2-ylcyclohexyl]amino]-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-[[4-(dimethylamino)-4-(2-thienyl)cyclohexyl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2CCC(CC2)(C3=CC=CS3)N(C)C

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)NC2CCC(CC2)(C3=CC=CS3)N(C)C

InChI

InChI=1S/C22H28N2O3S/c1-16(25)27-20(17-8-5-4-6-9-17)21(26)23-18-11-13-22(14-12-18,24(2)3)19-10-7-15-28-19/h4-10,15,18,20H,11-14H2,1-3H3,(H,23,26)