2-(1,3-benzothiazol-2-ylamino)-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-3-chloro-naphthalene-1,4-dione CAS Name: 2-(1,3-benzothiazol-2-ylamino)-3-chloronaphthalene-1,4-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-3-chloronaphthalene-1,4-dione Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-3-chloro-1,4-naphthoquinone Formula: C17H9ClN2O2S MolecularWeight: 340.78356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H9ClN2O2S/c18-13-14(16(22)10-6-2-1-5-9(10)15(13)21)20-17-19-11-7-3-4-8-12(11)23-17/h1-8H,(H,19,20)