N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)propanamide

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-keto-4H-1,4-benzothiazin-2-yl)propionamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S2/c1-3-4-7-14-10-11-16-18(12-14)29-22(24-16)25-20(26)13(2)19-21(27)23-15-8-5-6-9-17(15)28-19/h5-6,8-13,19H,3-4,7H2,1-2H3,(H,23,27)(H,24,25,26)