N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methylbutyl)-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-isopentyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methylbutyl)-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-isoamyl-1,3-diketo-N-(3-methyl-1,3-benzothiazol-2-ylidene)isoindoline-5-carboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C22H21N3O3S/c1-13(2)10-11-25-20(27)15-9-8-14(12-16(15)21(25)28)19(26)23-22-24(3)17-6-4-5-7-18(17)29-22/h4-9,12-13H,10-11H2,1-3H3