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

Systemtic Name: 1-azanyl-N-(1,3-benzodioxol-5-yl)-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-N-(1,3-benzodioxol-5-yl)-5-ethyl-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)NC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CCC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)NC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H21N3O3S/c1-2-14-12-5-3-4-6-13(12)17-18(22)19(28-21(17)24-14)20(25)23-11-7-8-15-16(9-11)27-10-26-15/h7-9H,2-6,10,22H2,1H3,(H,23,25)