[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 2-(2-amino-2-oxo-ethyl)sulfanylbenzoate CAS Name: 2-[(2-amino-2-oxoethyl)thio]benzoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-(2-amino-2-oxoethyl)sulfanylbenzoate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzoic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N

InChI

InChI=1S/C19H25N3O5S/c1-12-6-2-4-8-14(12)21-19(26)22-17(24)10-27-18(25)13-7-3-5-9-15(13)28-11-16(20)23/h3,5,7,9,12,14H,2,4,6,8,10-11H2,1H3,(H2,20,23)(H2,21,22,24,26)