1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(2-ethylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(2-ethylphenyl)carbamothioylamino]thiourea Openeye Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(2-ethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[(2-ethylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(2-ethylphenyl)carbamothioylamino]thiourea Traditional Name: 1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[(2-ethylphenyl)thiocarbamoylamino]thiourea Formula: C18H28N4S2 MolecularWeight: 364.57172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NNC(=S)NC2CCCC(C2C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NNC(=S)N[C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C18H28N4S2/c1-4-14-9-5-6-10-16(14)20-18(24)22-21-17(23)19-15-11-7-8-12(2)13(15)3/h5-6,9-10,12-13,15H,4,7-8,11H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/t12-,13+,15+/m1/s1