1-(1,3-benzodioxol-5-ylmethyl)-8-methyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-methyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-methyl-3-(2-thienylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-methyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-8-methyl-3-(thiophen-2-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 8-methyl-1-piperonyl-3-(2-thenyl)-3,4-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)NC(C(=O)N2CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)NC(C(=O)N2CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

InChI

InChI=1S/C23H20N2O4S/c1-14-4-6-17-19(9-14)25(12-15-5-7-20-21(10-15)29-13-28-20)23(27)18(24-22(17)26)11-16-3-2-8-30-16/h2-10,18H,11-13H2,1H3,(H,24,26)