2-butyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]isoindoline-5-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NN=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N/N=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N4O3S/c1-3-4-11-25-19(27)14-10-9-13(12-15(14)20(25)28)18(26)22-23-21-24(2)16-7-5-6-8-17(16)29-21/h5-10,12H,3-4,11H2,1-2H3,(H,22,26)/b23-21-