2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propyl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propyl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propyl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenylpropyl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[(2S)-2-(3,4-dimethoxyphenyl)-3-phenyl-propyl]benzamide Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CC2=CC=CC=C2)CNC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N)OC

InChI

InChI=1S/C31H28N2O3S/c1-35-27-17-16-23(19-28(27)36-2)25(18-22-10-4-3-5-11-22)21-33-31(34)26-13-7-9-15-30(26)37-29-14-8-6-12-24(29)20-32/h3-17,19,25H,18,21H2,1-2H3,(H,33,34)/t25-/m1/s1