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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NC(C)CCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)N[C@H](C)CCCC(C)C

InChI

InChI=1S/C17H28N4S2/c1-12(2)8-7-10-14(4)18-16(22)20-21-17(23)19-15-11-6-5-9-13(15)3/h5-6,9,11-12,14H,7-8,10H2,1-4H3,(H2,18,20,22)(H2,19,21,23)/t14-/m1/s1