2-cyano-N-[4-[[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]carbamoyl]phenyl]ethanamide

Systemtic Name: 2-cyano-N-[4-[[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]carbamoyl]phenyl]ethanamide Openeye Name: 2-cyano-N-[4-[[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]carbamoyl]phenyl]acetamide CAS Name: 2-cyano-N-[4-[[[[[(1R,2R)-2-methylcyclohexyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]acetamide IUPAC Name: 2-cyano-N-[4-[[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]carbamoyl]phenyl]acetamide Traditional Name: 2-cyano-N-[4-[[[(1R,2R)-2-methylcyclohexyl]thiocarbamoylamino]carbamoyl]phenyl]acetamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H23N5O2S/c1-12-4-2-3-5-15(12)21-18(26)23-22-17(25)13-6-8-14(9-7-13)20-16(24)10-11-19/h6-9,12,15H,2-5,10H2,1H3,(H,20,24)(H,22,25)(H2,21,23,26)/t12-,15-/m1/s1