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

Systemtic Name: 1-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Openeye Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide CAS Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide IUPAC Name: 1-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamide Traditional Name: 1-amino-5-methyl-N-piperonyl-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:

CC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1=C2CCCCC2=C3C(=C(SC3=N1)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H21N3O3S/c1-11-13-4-2-3-5-14(13)17-18(22)19(28-21(17)24-11)20(25)23-9-12-6-7-15-16(8-12)27-10-26-15/h6-8H,2-5,9-10,22H2,1H3,(H,23,25)