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

Systemtic Name: 1-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-N-piperonyl-5-(2-thienyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C6=CC=CS6

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)NCC4=CC5=C(C=C4)OCO5)N)C6=CC=CS6

InChI

InChI=1S/C24H21N3O3S2/c25-20-19-14-4-1-2-5-15(14)21(18-6-3-9-31-18)27-24(19)32-22(20)23(28)26-11-13-7-8-16-17(10-13)30-12-29-16/h3,6-10H,1-2,4-5,11-12,25H2,(H,26,28)