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

Systemtic Name: N-(3-butylsulfanylpropyl)-4-[(E)-(4-methyl-3-oxidanylidene-1,4-benzoxazin-2-ylidene)methyl]benzamide Openeye Name: N-(3-butylsulfanylpropyl)-4-[(E)-(4-methyl-3-oxo-1,4-benzoxazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(butylthio)propyl]-4-[(E)-(4-methyl-3-oxo-1,4-benzoxazin-2-ylidene)methyl]benzamide IUPAC Name: N-(3-butylsulfanylpropyl)-4-[(E)-(4-methyl-3-oxo-1,4-benzoxazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-(butylthio)propyl]-4-[(E)-(3-keto-4-methyl-1,4-benzoxazin-2-ylidene)methyl]benzamide Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3O2)C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3O2)C

InChI

InChI=1S/C24H28N2O3S/c1-3-4-15-30-16-7-14-25-23(27)19-12-10-18(11-13-19)17-22-24(28)26(2)20-8-5-6-9-21(20)29-22/h5-6,8-13,17H,3-4,7,14-16H2,1-2H3,(H,25,27)/b22-17+