N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-butoxy-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=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)C

InChI

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