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

Systemtic Name: 1-[(2S)-6-methylheptan-2-yl]-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-[[(1S)-1,5-dimethylhexyl]carbamothioylamino]thiourea CAS Name: 1-[(2S)-6-methylheptan-2-yl]-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-benzyl-3-[[(2S)-6-methylheptan-2-yl]carbamothioylamino]thiourea Traditional Name: 1-benzyl-3-[[(1S)-1,5-dimethylhexyl]thiocarbamoylamino]thiourea Formula: C17H28N4S2 MolecularWeight: 352.56102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C17H28N4S2/c1-13(2)8-7-9-14(3)19-17(23)21-20-16(22)18-12-15-10-5-4-6-11-15/h4-6,10-11,13-14H,7-9,12H2,1-3H3,(H2,18,20,22)(H2,19,21,23)/t14-/m0/s1