3-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloranyl-phenyl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chloro-phenyl]prop-2-enoyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[2-[4-[(2-bromophenyl)thio]-3-chlorophenyl]-1-oxoprop-2-enyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[2-[4-(2-bromophenyl)sulfanyl-3-chlorophenyl]prop-2-enoyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[2-[4-[(2-bromophenyl)thio]-3-chloro-phenyl]acryloyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C27H23BrClN3O2S MolecularWeight: 568.91242

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)SC2=CC=CC=C2Br)Cl)C(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C27H23BrClN3O2S/c1-17(18-10-11-25(21(29)16-18)35-24-9-5-2-6-20(24)28)26(33)31-14-12-19(13-15-31)32-23-8-4-3-7-22(23)30-27(32)34/h2-11,16,19H,1,12-15H2,(H,30,34)