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

Systemtic Name: (3E)-1-(3-chlorophenyl)-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea Openeye Name: (3E)-1-(3-chlorophenyl)-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea CAS Name: (3E)-1-(3-chlorophenyl)-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea IUPAC Name: (3E)-1-(3-chlorophenyl)-3-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)urea Traditional Name: (3E)-1-(3-chlorophenyl)-3-(6-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)urea Formula: C18H14ClN3OS MolecularWeight: 355.84126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3OS/c1-3-9-22-15-8-7-12(2)10-16(15)24-18(22)21-17(23)20-14-6-4-5-13(19)11-14/h1,4-8,10-11H,9H2,2H3,(H,20,23)/b21-18+