1-azanyl-5-phenethyl-N-(phenylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide

Systemtic Name: 1-azanyl-5-phenethyl-N-(phenylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-N-benzyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-5-phenethyl-N-(phenylmethyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-N-benzyl-5-phenethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-N-benzyl-5-phenethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C3C(=C(SC3=NC(=C2C1)CCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5)N

Isomeric SMILES

C1CCC2=C3C(=C(SC3=NC(=C2C1)CCC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5)N

InChI

InChI=1S/C27H27N3OS/c28-24-23-21-14-8-7-13-20(21)22(16-15-18-9-3-1-4-10-18)30-27(23)32-25(24)26(31)29-17-19-11-5-2-6-12-19/h1-6,9-12H,7-8,13-17,28H2,(H,29,31)