N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide

Systemtic Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Openeye Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-[5-(4-chlorophenyl)-2-furyl]prop-2-enamide CAS Name: N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-3-[5-(4-chlorophenyl)-2-furanyl]-2-propenamide IUPAC Name: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide Traditional Name: N-(1,3-benzothiazol-2-ylthiocarbamoyl)-3-[5-(4-chlorophenyl)-2-furyl]acrylamide Formula: C21H14ClN3O2S2 MolecularWeight: 439.93776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClN3O2S2/c22-14-7-5-13(6-8-14)17-11-9-15(27-17)10-12-19(26)24-20(28)25-21-23-16-3-1-2-4-18(16)29-21/h1-12H,(H2,23,24,25,26,28)