1-(phenylmethyl)-3-[(1S,2S)-2-[(phenylmethyl)carbamothioylamino]cyclohexyl]thiourea

Systemtic Name: 1-(phenylmethyl)-3-[(1S,2S)-2-[(phenylmethyl)carbamothioylamino]cyclohexyl]thiourea Openeye Name: 1-benzyl-3-[(1S,2S)-2-(benzylcarbamothioylamino)cyclohexyl]thiourea CAS Name: 1-(phenylmethyl)-3-[(1S,2S)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]cyclohexyl]thiourea IUPAC Name: 1-benzyl-3-[(1S,2S)-2-(benzylcarbamothioylamino)cyclohexyl]thiourea Traditional Name: 1-benzyl-3-[(1S,2S)-2-(benzylthiocarbamoylamino)cyclohexyl]thiourea Formula: C22H28N4S2 MolecularWeight: 412.61452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=S)NCC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1CC[C@@H]([C@H](C1)NC(=S)NCC2=CC=CC=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4S2/c27-21(23-15-17-9-3-1-4-10-17)25-19-13-7-8-14-20(19)26-22(28)24-16-18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2,(H2,23,25,27)(H2,24,26,28)/t19-,20-/m0/s1