(1E)-1-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-urea

Systemtic Name: (1E)-1-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-urea Openeye Name: (1E)-1-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-urea CAS Name: (1E)-1-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylurea IUPAC Name: (1E)-1-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylurea Traditional Name: (1E)-1-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenyl-urea Formula: C18H15N3OS MolecularWeight: 321.3962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)NC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=N\C(=O)NC3=CC=CC=C3)/S2)CC#C

InChI

InChI=1S/C18H15N3OS/c1-3-11-21-15-10-9-13(2)12-16(15)23-18(21)20-17(22)19-14-7-5-4-6-8-14/h1,4-10,12H,11H2,2H3,(H,19,22)/b20-18+