3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide

Systemtic Name: 3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide Openeye Name: 3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methyleneamino]benzamide CAS Name: N-[(E)-[4-(methylthio)phenyl]methylideneamino]-3-(1-oxoheptylamino)benzamide IUPAC Name: 3-(heptanoylamino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide Traditional Name: 3-(enanthylamino)-N-[(E)-[4-(methylthio)benzylidene]amino]benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC(=C1)C(=O)N/N=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C22H27N3O2S/c1-3-4-5-6-10-21(26)24-19-9-7-8-18(15-19)22(27)25-23-16-17-11-13-20(28-2)14-12-17/h7-9,11-16H,3-6,10H2,1-2H3,(H,24,26)(H,25,27)/b23-16+