3-chloranyl-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]benzothiophene-2-carboxamide Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)OC

InChI

InChI=1S/C25H22ClNO3S/c1-29-20-13-12-17(15-21(20)30-2)19(14-16-8-4-3-5-9-16)27-25(28)24-23(26)18-10-6-7-11-22(18)31-24/h3-13,15,19H,14H2,1-2H3,(H,27,28)/t19-/m0/s1