1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-1-prop-2-enyl-thiourea

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-1-prop-2-enyl-thiourea Openeye Name: 1-allyl-1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]thiourea CAS Name: 1-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-1-prop-2-enylthiourea IUPAC Name: 1-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1-prop-2-enylthiourea Traditional Name: 1-allyl-1-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]thiourea Formula: C13H14N4OS3 MolecularWeight: 338.47146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C(=S)N)NC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C=CCN(C(=S)N)NC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N4OS3/c1-2-7-17(12(14)19)16-11(18)8-20-13-15-9-5-3-4-6-10(9)21-13/h2-6H,1,7-8H2,(H2,14,19)(H,16,18)