2-[1-oxidanylidene-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[1-oxidanylidene-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[1-methyl-2-oxo-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[1-oxo-1-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[1-oxo-1-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]isoindole-1,3-dione Traditional Name: 2-[2-keto-1-methyl-2-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]ethyl]isoindoline-1,3-quinone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CC2=NC=CS2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CC2=NC=CS2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H22N4O3S/c1-14(24-19(26)15-5-2-3-6-16(15)20(24)27)18(25)23-9-4-8-22(10-11-23)13-17-21-7-12-28-17/h2-3,5-7,12,14H,4,8-11,13H2,1H3