N-[[2,5-bis(chloranyl)phenyl]carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[[2,5-bis(chloranyl)phenyl]carbamothioyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(2,5-dichloroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2,5-dichlorophenyl)thiocarbamoyl]benzamide Formula: C18H18Cl2N2OS MolecularWeight: 381.31932

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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)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2OS/c1-18(2,3)12-6-4-11(5-7-12)16(23)22-17(24)21-15-10-13(19)8-9-14(15)20/h4-10H,1-3H3,(H2,21,22,23,24)