4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(2,4-dipropoxyphenyl)methyleneamino]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[(E)-(2,4-dipropoxybenzylidene)amino]benzamide Formula: C28H29N3O3S2 MolecularWeight: 519.67816

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3)OCCC

InChI

InChI=1S/C28H29N3O3S2/c1-3-15-33-23-14-13-22(25(17-23)34-16-4-2)18-29-31-27(32)21-11-9-20(10-12-21)19-35-28-30-24-7-5-6-8-26(24)36-28/h5-14,17-18H,3-4,15-16,19H2,1-2H3,(H,31,32)/b29-18+