1-(2-phenylsulfanylethyl)-3-(prop-2-enylcarbamothioylamino)thiourea

Systemtic Name: 1-(2-phenylsulfanylethyl)-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-(2-phenylsulfanylethylcarbamothioylamino)thiourea CAS Name: 1-[2-(phenylthio)ethyl]-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(2-phenylsulfanylethyl)-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-[2-(phenylthio)ethylthiocarbamoylamino]thiourea Formula: C13H18N4S3 MolecularWeight: 326.50382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=S)NCCSC1=CC=CC=C1

Isomeric SMILES

C=CCNC(=S)NNC(=S)NCCSC1=CC=CC=C1

InChI

InChI=1S/C13H18N4S3/c1-2-8-14-12(18)16-17-13(19)15-9-10-20-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H2,14,16,18)(H2,15,17,19)