N-(6-chloranyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(6-chloro-1,3-benzothiazol-2-yl)-1,3-diketo-isoindoline-5-carboxamide Formula: C19H12ClN3O3S MolecularWeight: 397.83488

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H12ClN3O3S/c1-2-7-23-17(25)12-5-3-10(8-13(12)18(23)26)16(24)22-19-21-14-6-4-11(20)9-15(14)27-19/h2-6,8-9H,1,7H2,(H,21,22,24)