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

Systemtic Name: 1-(phenylmethyl)-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-(benzylcarbamothioylamino)thiourea CAS Name: 1-(phenylmethyl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-benzyl-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-(benzylthiocarbamoylamino)thiourea Formula: C12H16N4S2 MolecularWeight: 280.41224

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

C=CCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C12H16N4S2/c1-2-8-13-11(17)15-16-12(18)14-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,13,15,17)(H2,14,16,18)