N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]benzamide CAS Name: N-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]benzamide Formula: C24H21N3O2S2 MolecularWeight: 447.57244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H21N3O2S2/c25-14-20-19-8-4-5-9-21(19)31-23(20)27-24(30)26-22(28)17-10-12-18(13-11-17)29-15-16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9,15H2,(H2,26,27,28,30)