N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-furamide Formula: C20H15N3O2S2 MolecularWeight: 393.482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CO2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CO2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15N3O2S2/c1-12-13(19-21-15-7-2-3-10-17(15)27-19)6-4-8-14(12)22-20(26)23-18(24)16-9-5-11-25-16/h2-11H,1H3,(H2,22,23,24,26)