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

Systemtic Name: 3-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-6-methyl-N-piperonyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)N

Isomeric SMILES

CC1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NCC4=CC5=C(C=C4)OCO5)N

InChI

InChI=1S/C21H21N3O3S/c1-11-2-4-15-13(6-11)8-14-18(22)19(28-21(14)24-15)20(25)23-9-12-3-5-16-17(7-12)27-10-26-16/h3,5,7-8,11H,2,4,6,9-10,22H2,1H3,(H,23,25)