[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

InChI=1S/C21H30N2O4S/c1-14(2)22-20(25)13-28-18-7-5-4-6-17(18)21(26)27-12-19(24)23-16-10-8-15(3)9-11-16/h4-7,14-16H,8-13H2,1-3H3,(H,22,25)(H,23,24)