methyl N-[6-[4-[(3-bromophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate

Systemtic Name: methyl N-[6-[4-[(3-bromophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Openeye Name: methyl N-[6-[4-[(3-bromophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate CAS Name: N-[6-[[4-[[(3-bromoanilino)-oxomethyl]amino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[6-[4-[(3-bromophenyl)carbamoylamino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate Traditional Name: N-[6-[[4-[(3-bromophenyl)carbamoylamino]phenyl]thio]-1H-benzimidazol-2-yl]carbamic acid methyl ester Formula: C22H18BrN5O3S MolecularWeight: 512.37902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H18BrN5O3S/c1-31-22(30)28-20-26-18-10-9-17(12-19(18)27-20)32-16-7-5-14(6-8-16)24-21(29)25-15-4-2-3-13(23)11-15/h2-12H,1H3,(H2,24,25,29)(H2,26,27,28,30)