1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-prop-2-enyl-urea

Systemtic Name: 1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-(6-methylsulfanyl-1,3-benzothiazol-2-yl)urea CAS Name: 1-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-prop-2-enylurea IUPAC Name: 1-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-prop-2-enylurea Traditional Name: 1-allyl-3-[6-(methylthio)-1,3-benzothiazol-2-yl]urea Formula: C12H13N3OS2 MolecularWeight: 279.38112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)NCC=C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)NC(=O)NCC=C

InChI

InChI=1S/C12H13N3OS2/c1-3-6-13-11(16)15-12-14-9-5-4-8(17-2)7-10(9)18-12/h3-5,7H,1,6H2,2H3,(H2,13,14,15,16)