N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C26H25N3O2S2 MolecularWeight: 475.6256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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