2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3,4-dimethylphenyl)benzamide

Systemtic Name: 2-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(3,4-dimethylphenyl)benzamide Openeye Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3,4-dimethylphenyl)benzamide CAS Name: 2-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(3,4-dimethylphenyl)benzamide IUPAC Name: 2-[(4-tert-butylbenzoyl)carbamothioylamino]-N-(3,4-dimethylphenyl)benzamide Traditional Name: 2-[(4-tert-butylbenzoyl)thiocarbamoylamino]-N-(3,4-dimethylphenyl)benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H29N3O2S/c1-17-10-15-21(16-18(17)2)28-25(32)22-8-6-7-9-23(22)29-26(33)30-24(31)19-11-13-20(14-12-19)27(3,4)5/h6-16H,1-5H3,(H,28,32)(H2,29,30,31,33)