methyl 2-[[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-(1-adamantylcarbamoylamino)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-(1-adamantylcarbamoylamino)piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[[(1-adamantylamino)-oxomethyl]amino]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(1-adamantylcarbamoylamino)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-(1-adamantylcarbamoylamino)piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4O3S/c1-32-22(30)20-4-2-3-5-21(20)27-24(33)29-8-6-19(7-9-29)26-23(31)28-25-13-16-10-17(14-25)12-18(11-16)15-25/h2-5,16-19H,6-15H2,1H3,(H,27,33)(H2,26,28,31)