N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-3-chloranyl-N-(phenylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-3-chloranyl-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-N-benzyl-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-3-chloro-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-N-benzyl-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-N-benzyl-3-chloro-benzothiophene-2-carboxamide Formula: C25H17ClN2O3S MolecularWeight: 460.93208

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)N(CC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](C#N)N(CC3=CC=CC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H17ClN2O3S/c26-23-18-8-4-5-9-22(18)32-24(23)25(29)28(14-16-6-2-1-3-7-16)19(13-27)17-10-11-20-21(12-17)31-15-30-20/h1-12,19H,14-15H2/t19-/m1/s1