N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-[butyl(ethyl)amino]propyl]-4-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)CCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCN(CC)CCCNC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C25H31N3O2S/c1-3-5-16-28(4-2)17-8-15-26-24(29)20-13-11-19(12-14-20)18-23-25(30)27-21-9-6-7-10-22(21)31-23/h6-7,9-14,18H,3-5,8,15-17H2,1-2H3,(H,26,29)(H,27,30)/b23-18+