N-(3-butylsulfanylpropyl)-4-[(E)-[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]benzamide

Systemtic Name: N-(3-butylsulfanylpropyl)-4-[(E)-[4-[(2-methylphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-2-ylidene]methyl]benzamide Openeye Name: N-(3-butylsulfanylpropyl)-4-[(E)-[4-(o-tolylmethyl)-3-oxo-1,4-benzothiazin-2-ylidene]methyl]benzamide CAS Name: N-[3-(butylthio)propyl]-4-[(E)-[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]benzamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-[(E)-[4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzothiazin-2-ylidene]methyl]benzamide Traditional Name: N-[3-(butylthio)propyl]-4-[(E)-[3-keto-4-(2-methylbenzyl)-1,4-benzothiazin-2-ylidene]methyl]benzamide Formula: C31H34N2O2S2 MolecularWeight: 530.74386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3S2)CC4=CC=CC=C4C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3S2)CC4=CC=CC=C4C

InChI

InChI=1S/C31H34N2O2S2/c1-3-4-19-36-20-9-18-32-30(34)25-16-14-24(15-17-25)21-29-31(35)33(22-26-11-6-5-10-23(26)2)27-12-7-8-13-28(27)37-29/h5-8,10-17,21H,3-4,9,18-20,22H2,1-2H3,(H,32,34)/b29-21+