ethyl 1-(phenylcarbonylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: ethyl 1-(phenylcarbonylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: ethyl 1-(benzoylcarbamothioylamino)-5-isopropyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-[[benzamido(sulfanylidene)methyl]amino]-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(benzoylcarbamothioylamino)-5-propan-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-(benzoylthiocarbamoylamino)-5-isopropyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid ethyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)C(C)C)NC(=S)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C3CCCCC3=C(N=C2S1)C(C)C)NC(=S)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S2/c1-4-31-24(30)21-20(27-25(32)28-22(29)15-10-6-5-7-11-15)18-16-12-8-9-13-17(16)19(14(2)3)26-23(18)33-21/h5-7,10-11,14H,4,8-9,12-13H2,1-3H3,(H2,27,28,29,32)