N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-bis(chloranyl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-bis(chloranyl)ethyl]-4-methyl-benzamide Openeye Name: N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-dichloro-ethyl]-4-methyl-benzamide CAS Name: N-[1-[[(4-bromoanilino)-sulfanylidenemethyl]amino]-2,2-dichloroethyl]-4-methylbenzamide IUPAC Name: N-[1-[(4-bromophenyl)carbamothioylamino]-2,2-dichloroethyl]-4-methylbenzamide Traditional Name: N-[1-[(4-bromophenyl)thiocarbamoylamino]-2,2-dichloro-ethyl]-4-methyl-benzamide Formula: C17H16BrCl2N3OS MolecularWeight: 461.20344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrCl2N3OS/c1-10-2-4-11(5-3-10)16(24)22-15(14(19)20)23-17(25)21-13-8-6-12(18)7-9-13/h2-9,14-15H,1H3,(H,22,24)(H2,21,23,25)