N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3-chloro-4-methyl-benzamide Formula: C26H26ClN3O2S MolecularWeight: 480.02154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C26H26ClN3O2S/c1-16-8-9-18(14-22(16)27)24(32)30-25(33)29-21-7-5-6-20(15-21)28-23(31)17-10-12-19(13-11-17)26(2,3)4/h5-15H,1-4H3,(H,28,31)(H2,29,30,32,33)