1-chloranyl-N-(4-phenylmethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide

Systemtic Name: 1-chloranyl-N-(4-phenylmethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide Openeye Name: N-(4-benzyloxyphenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide CAS Name: 1-chloro-N-(4-phenylmethoxyphenyl)-2-benzo[e][1]benzothiolecarboxamide IUPAC Name: 1-chloro-N-(4-phenylmethoxyphenyl)benzo[e][1]benzothiole-2-carboxamide Traditional Name: N-(4-benzoxyphenyl)-1-chloro-benzo[e]benzothiophene-2-carboxamide Formula: C26H18ClNO2S MolecularWeight: 443.94462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC5=CC=CC=C54)Cl

InChI

InChI=1S/C26H18ClNO2S/c27-24-23-21-9-5-4-8-18(21)10-15-22(23)31-25(24)26(29)28-19-11-13-20(14-12-19)30-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,28,29)