1-(3-methylsulfanylpropyl)-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-benzyl-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-benzyl-3-(3-methylsulfanylpropylcarbamothioylamino)thiourea Traditional Name: 1-benzyl-3-[3-(methylthio)propylthiocarbamoylamino]thiourea Formula: C13H20N4S3 MolecularWeight: 328.5197

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CSCCCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C13H20N4S3/c1-20-9-5-8-14-12(18)16-17-13(19)15-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H2,14,16,18)(H2,15,17,19)