1-[2,2-dimethyl-3-[(phenylmethyl)carbamothioylamino]propyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[2,2-dimethyl-3-[(phenylmethyl)carbamothioylamino]propyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(benzylcarbamothioylamino)-2,2-dimethyl-propyl]thiourea CAS Name: 1-[2,2-dimethyl-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]propyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(benzylcarbamothioylamino)-2,2-dimethylpropyl]thiourea Traditional Name: 1-benzyl-3-[3-(benzylthiocarbamoylamino)-2,2-dimethyl-propyl]thiourea Formula: C21H28N4S2 MolecularWeight: 400.60382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NCC1=CC=CC=C1)CNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(CNC(=S)NCC1=CC=CC=C1)CNC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4S2/c1-21(2,15-24-19(26)22-13-17-9-5-3-6-10-17)16-25-20(27)23-14-18-11-7-4-8-12-18/h3-12H,13-16H2,1-2H3,(H2,22,24,26)(H2,23,25,27)