N-cyclohexyl-2,3-diethoxy-8-oxidanylidene-N-(thiophen-2-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide

Systemtic Name: N-cyclohexyl-2,3-diethoxy-8-oxidanylidene-N-(thiophen-2-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Openeye Name: N-cyclohexyl-2,3-diethoxy-8-oxo-N-(2-thienylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide CAS Name: N-cyclohexyl-2,3-diethoxy-8-oxo-N-(thiophen-2-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide IUPAC Name: N-cyclohexyl-2,3-diethoxy-8-oxo-N-(thiophen-2-ylmethyl)-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide Traditional Name: N-cyclohexyl-2,3-diethoxy-8-keto-N-(2-thenyl)-5,6,13,13a-tetrahydroisoquinolin[2,1-b]isoquinoline-13-carboxamide Formula: C33H38N2O4S MolecularWeight: 558.73082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)N(CC5=CC=CS5)C6CCCCC6)OCC

Isomeric SMILES

CCOC1=C(C=C2C3C(C4=CC=CC=C4C(=O)N3CCC2=C1)C(=O)N(CC5=CC=CS5)C6CCCCC6)OCC

InChI

InChI=1S/C33H38N2O4S/c1-3-38-28-19-22-16-17-34-31(27(22)20-29(28)39-4-2)30(25-14-8-9-15-26(25)32(34)36)33(37)35(21-24-13-10-18-40-24)23-11-6-5-7-12-23/h8-10,13-15,18-20,23,30-31H,3-7,11-12,16-17,21H2,1-2H3