2-[4-(1,3-benzothiazol-2-yl)-1,2-diazepan-1-yl]-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)-1,2-diazepan-1-yl]-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)diazepan-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-diazepanyl]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)diazepan-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)diazepan-1-yl]-3-chloro-1,4-naphthoquinone Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(CNN(C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H18ClN3O2S/c23-18-19(21(28)15-8-2-1-7-14(15)20(18)27)26-11-5-6-13(12-24-26)22-25-16-9-3-4-10-17(16)29-22/h1-4,7-10,13,24H,5-6,11-12H2