5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: 5-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(4-tert-butylbenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(4-tert-butylbenzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C25H30ClN3O2S MolecularWeight: 472.0426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C25H30ClN3O2S/c1-25(2,3)17-11-9-16(10-12-17)22(30)29-24(32)28-19-13-14-21(26)20(15-19)23(31)27-18-7-5-4-6-8-18/h9-15,18H,4-8H2,1-3H3,(H,27,31)(H2,28,29,30,32)