N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-quinolin-3-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[(7-methylsulfanyl-2-pyrrolidin-1-yl-3-quinolyl)methyl]thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[[7-(methylthio)-2-(1-pyrrolidinyl)-3-quinolinyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[(7-methylsulfanyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-methyl-N-[[7-(methylthio)-2-pyrrolidino-3-quinolyl]methyl]-N-piperonyl-thiophene-2-carboxamide Formula: C29H29N3O3S2 MolecularWeight: 531.68886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCCC6

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(N=C5C=C(C=CC5=C4)SC)N6CCCC6

InChI

InChI=1S/C29H29N3O3S2/c1-19-5-10-27(37-19)29(33)32(16-20-6-9-25-26(13-20)35-18-34-25)17-22-14-21-7-8-23(36-2)15-24(21)30-28(22)31-11-3-4-12-31/h5-10,13-15H,3-4,11-12,16-18H2,1-2H3