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

Systemtic Name: 3-butoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C26H25N3O2S2/c1-3-4-14-31-21-7-5-6-19(16-21)24(30)29-26(32)27-20-11-9-18(10-12-20)25-28-22-13-8-17(2)15-23(22)33-25/h5-13,15-16H,3-4,14H2,1-2H3,(H2,27,29,30,32)