5-bromanyl-2-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[4-oxidanylidene-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[4-oxo-4-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]butyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[4-oxo-4-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[4-keto-4-[4-(2-thenyl)-1,4-diazepan-1-yl]butyl]isoindoline-1,3-quinone Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)CC4=CC=CS4

InChI

InChI=1S/C22H24BrN3O3S/c23-16-6-7-18-19(14-16)22(29)26(21(18)28)10-1-5-20(27)25-9-3-8-24(11-12-25)15-17-4-2-13-30-17/h2,4,6-7,13-14H,1,3,5,8-12,15H2