N-(cyanomethyl)-N-(phenylmethyl)-5-thiophen-3-yl-1-benzothiophene-2-carbothioamide

Systemtic Name: N-(cyanomethyl)-N-(phenylmethyl)-5-thiophen-3-yl-1-benzothiophene-2-carbothioamide Openeye Name: N-benzyl-N-(cyanomethyl)-5-(3-thienyl)benzothiophene-2-carbothioamide CAS Name: N-(cyanomethyl)-N-(phenylmethyl)-5-(3-thiophenyl)-1-benzothiophene-2-carbothioamide IUPAC Name: N-benzyl-N-(cyanomethyl)-5-thiophen-3-yl-1-benzothiophene-2-carbothioamide Traditional Name: N-benzyl-N-(cyanomethyl)-5-(3-thienyl)benzothiophene-2-carbothioamide Formula: C22H16N2S3 MolecularWeight: 404.57084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC#N)C(=S)C2=CC3=C(S2)C=CC(=C3)C4=CSC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN(CC#N)C(=S)C2=CC3=C(S2)C=CC(=C3)C4=CSC=C4

InChI

InChI=1S/C22H16N2S3/c23-9-10-24(14-16-4-2-1-3-5-16)22(25)21-13-19-12-17(6-7-20(19)27-21)18-8-11-26-15-18/h1-8,11-13,15H,10,14H2