1-(3,5-dimethylphenyl)-3-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiourea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiourea Openeye Name: 1-[(1R)-1,5-dimethylhexyl]-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea CAS Name: 1-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-3-[(2R)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-[(1R)-1,5-dimethylhexyl]-3-[(3,5-dimethylphenyl)thiocarbamoylamino]thiourea Formula: C18H30N4S2 MolecularWeight: 366.5876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NNC(=S)NC(C)CCCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NNC(=S)N[C@H](C)CCCC(C)C)C

InChI

InChI=1S/C18H30N4S2/c1-12(2)7-6-8-15(5)19-17(23)21-22-18(24)20-16-10-13(3)9-14(4)11-16/h9-12,15H,6-8H2,1-5H3,(H2,19,21,23)(H2,20,22,24)/t15-/m1/s1