3-bromanyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C25H22BrN3O2S2 MolecularWeight: 540.49508

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C)Br

InChI

InChI=1S/C25H22BrN3O2S2/c1-3-12-31-21-11-7-17(14-19(21)26)23(30)29-25(32)27-18-8-5-16(6-9-18)24-28-20-10-4-15(2)13-22(20)33-24/h4-11,13-14H,3,12H2,1-2H3,(H2,27,29,30,32)