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

Systemtic Name: 1-azanyl-N-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-(2-thienyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N)C6=CC=CS6

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NC4=CC5=C(C=C4)OCO5)N)C6=CC=CS6

InChI

InChI=1S/C23H19N3O3S2/c24-19-18-13-4-1-2-5-14(13)20(17-6-3-9-30-17)26-23(18)31-21(19)22(27)25-12-7-8-15-16(10-12)29-11-28-15/h3,6-10H,1-2,4-5,11,24H2,(H,25,27)