N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C30H28N4O2S2 MolecularWeight: 540.69892

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C

InChI

InChI=1S/C30H28N4O2S2/c1-17(2)36-20-8-6-7-19(14-20)26-15-23(21-9-4-5-10-25(21)32-26)28(35)33-30(37)34-29-24(16-31)22-12-11-18(3)13-27(22)38-29/h4-10,14-15,17-18H,11-13H2,1-3H3,(H2,33,34,35,37)