1-(3,4-dimethylphenyl)-3-[[(2S)-2-ethylhexyl]carbamothioylamino]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[[(2S)-2-ethylhexyl]carbamothioylamino]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[[(2S)-2-ethylhexyl]carbamothioylamino]thiourea CAS Name: 1-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[[(2S)-2-ethylhexyl]carbamothioylamino]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[[(2S)-2-ethylhexyl]thiocarbamoylamino]thiourea Formula: C18H30N4S2 MolecularWeight: 366.5876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=S)NC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=S)NC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C18H30N4S2/c1-5-7-8-15(6-2)12-19-17(23)21-22-18(24)20-16-10-9-13(3)14(4)11-16/h9-11,15H,5-8,12H2,1-4H3,(H2,19,21,23)(H2,20,22,24)/t15-/m0/s1