5-[(2-bromophenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: 5-[(2-bromophenyl)carbonylcarbamothioylamino]-2-chloranyl-N-cyclohexyl-benzamide Openeye Name: 5-[(2-bromobenzoyl)carbamothioylamino]-2-chloro-N-cyclohexyl-benzamide CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-chloro-N-cyclohexylbenzamide IUPAC Name: 5-[(2-bromobenzoyl)carbamothioylamino]-2-chloro-N-cyclohexylbenzamide Traditional Name: 5-[(2-bromobenzoyl)thiocarbamoylamino]-2-chloro-N-cyclohexyl-benzamide Formula: C21H21BrClN3O2S MolecularWeight: 494.83234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)NC(=S)NC(=O)C3=CC=CC=C3Br)Cl

InChI

InChI=1S/C21H21BrClN3O2S/c22-17-9-5-4-8-15(17)19(27)26-21(29)25-14-10-11-18(23)16(12-14)20(28)24-13-6-2-1-3-7-13/h4-5,8-13H,1-3,6-7H2,(H,24,28)(H2,25,26,27,29)