1-[(2S)-6-methylheptan-2-yl]-3-[(4-methylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(4-methylphenyl)carbamothioylamino]thiourea Openeye Name: 1-[(1S)-1,5-dimethylhexyl]-3-(p-tolylcarbamothioylamino)thiourea CAS Name: 1-[[(4-methylanilino)-sulfanylidenemethyl]amino]-3-[(2S)-6-methylheptan-2-yl]thiourea IUPAC Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(4-methylphenyl)carbamothioylamino]thiourea Traditional Name: 1-[(1S)-1,5-dimethylhexyl]-3-(p-tolylthiocarbamoylamino)thiourea Formula: C17H28N4S2 MolecularWeight: 352.56102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4S2/c1-12(2)6-5-7-14(4)18-16(22)20-21-17(23)19-15-10-8-13(3)9-11-15/h8-12,14H,5-7H2,1-4H3,(H2,18,20,22)(H2,19,21,23)/t14-/m0/s1