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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-4-tert-butyl-benzamide Formula: C26H25N3OS2 MolecularWeight: 459.6262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H25N3OS2/c1-26(2,3)20-14-12-18(13-15-20)23(30)29-25(31)27-16-17-8-10-19(11-9-17)24-28-21-6-4-5-7-22(21)32-24/h4-15H,16H2,1-3H3,(H2,27,29,30,31)