N-(1,3-benzothiazol-2-ylmethyl)-2-butyl-N-methyl-1,3-bis(oxidanylidene)isoindole-5-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-3-4-11-25-21(27)15-10-9-14(12-16(15)22(25)28)20(26)24(2)13-19-23-17-7-5-6-8-18(17)29-19/h5-10,12H,3-4,11,13H2,1-2H3