7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione

Systemtic Name: 7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Openeye Name: 7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione CAS Name: 7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione IUPAC Name: 7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Traditional Name: 7,9-bis(dipropylamino)-5-(2-nitrophenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione Formula: C27H37N5O2S MolecularWeight: 495.67998

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=C2C(=C1)C(=NCC(=S)N2)C3=CC=CC=C3[N+](=O)[O-])N(CCC)CCC

Isomeric SMILES

CCCN(CCC)C1=CC(=C2C(=C1)C(=NCC(=S)N2)C3=CC=CC=C3[N+](=O)[O-])N(CCC)CCC

InChI

InChI=1S/C27H37N5O2S/c1-5-13-30(14-6-2)20-17-22-26(21-11-9-10-12-23(21)32(33)34)28-19-25(35)29-27(22)24(18-20)31(15-7-3)16-8-4/h9-12,17-18H,5-8,13-16,19H2,1-4H3,(H,29,35)