N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-(2-furyl)prop-2-enamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-(2-furanyl)-2-propenamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-(furan-2-yl)prop-2-enamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-(2-furyl)acrylamide Formula: C22H17N3O2S2 MolecularWeight: 419.51928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C=CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)CNC(=S)NC(=O)C=CC4=CC=CO4

InChI

InChI=1S/C22H17N3O2S2/c26-20(12-11-17-4-3-13-27-17)25-22(28)23-14-15-7-9-16(10-8-15)21-24-18-5-1-2-6-19(18)29-21/h1-13H,14H2,(H2,23,25,26,28)