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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)-N-phenethyl-2-prop-2-enyl-isoindole-5-carboxamide Openeye Name: 2-allyl-N-(1,3-benzothiazol-2-yl)-1,3-dioxo-N-phenethyl-isoindoline-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1,3-dioxo-N-phenethyl-2-prop-2-enyl-5-isoindolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1,3-dioxo-N-phenethyl-2-prop-2-enylisoindole-5-carboxamide Traditional Name: 2-allyl-N-(1,3-benzothiazol-2-yl)-1,3-diketo-N-phenethyl-isoindoline-5-carboxamide Formula: C27H21N3O3S MolecularWeight: 467.53894

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(CCC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H21N3O3S/c1-2-15-29-25(32)20-13-12-19(17-21(20)26(29)33)24(31)30(16-14-18-8-4-3-5-9-18)27-28-22-10-6-7-11-23(22)34-27/h2-13,17H,1,14-16H2