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

Systemtic Name: N-[2-[methyl(phenethyl)amino]ethyl]-4-[(E)-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[2-[methyl(phenethyl)amino]ethyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[2-[methyl(phenethyl)amino]ethyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[2-[methyl(phenethyl)amino]ethyl]-4-[(E)-(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: 4-[(E)-(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]-N-[2-[methyl(phenethyl)amino]ethyl]benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CN(CCC1=CC=CC=C1)CCNC(=O)C2=CC=C(C=C2)/C=C/3\C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C27H27N3O2S/c1-30(17-15-20-7-3-2-4-8-20)18-16-28-26(31)22-13-11-21(12-14-22)19-25-27(32)29-23-9-5-6-10-24(23)33-25/h2-14,19H,15-18H2,1H3,(H,28,31)(H,29,32)/b25-19+