1-(1-benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine

Systemtic Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine Openeye Name: 1-(benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine CAS Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine IUPAC Name: 1-(1-benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine Traditional Name: 1-(benzothiophen-2-yl)-7,8-diethoxy-4-methyl-5-propyl-5H-2,3-benzodiazepine Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=NN=C(C2=CC(=C(C=C12)OCC)OCC)C3=CC4=CC=CC=C4S3)C

Isomeric SMILES

CCCC1C(=NN=C(C2=CC(=C(C=C12)OCC)OCC)C3=CC4=CC=CC=C4S3)C

InChI

InChI=1S/C25H28N2O2S/c1-5-10-18-16(4)26-27-25(24-13-17-11-8-9-12-23(17)30-24)20-15-22(29-7-3)21(28-6-2)14-19(18)20/h8-9,11-15,18H,5-7,10H2,1-4H3