1-[5-bromanyl-2-(prop-2-enylcarbamothioylamino)pyridin-3-yl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[5-bromanyl-2-(prop-2-enylcarbamothioylamino)pyridin-3-yl]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[2-(allylcarbamothioylamino)-5-bromo-3-pyridyl]thiourea CAS Name: 1-[5-bromo-2-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]-3-prop-2-enylthiourea IUPAC Name: 1-[5-bromo-2-(prop-2-enylcarbamothioylamino)pyridin-3-yl]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[2-(allylthiocarbamoylamino)-5-bromo-3-pyridyl]thiourea Formula: C13H16BrN5S2 MolecularWeight: 386.33364

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NC1=CC(=CN=C1NC(=S)NCC=C)Br

Isomeric SMILES

C=CCNC(=S)NC1=CC(=CN=C1NC(=S)NCC=C)Br

InChI

InChI=1S/C13H16BrN5S2/c1-3-5-15-12(20)18-10-7-9(14)8-17-11(10)19-13(21)16-6-4-2/h3-4,7-8H,1-2,5-6H2,(H2,15,18,20)(H2,16,17,19,21)