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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NNC(=S)NC2CCCC(C2C)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NNC(=S)N[C@H]2CCC[C@H]([C@@H]2C)C

InChI

InChI=1S/C18H28N4S2/c1-4-14-8-6-9-15(11-14)19-17(23)21-22-18(24)20-16-10-5-7-12(2)13(16)3/h6,8-9,11-13,16H,4-5,7,10H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/t12-,13+,16+/m1/s1