3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide

Systemtic Name: 3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide CAS Name: 3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3,4,5-triethoxy-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-benzyl-3,4,5-triethoxy-N-[6-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C28H30N2O4S2 MolecularWeight: 522.6788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C28H30N2O4S2/c1-5-32-23-15-20(16-24(33-6-2)26(23)34-7-3)27(31)30(18-19-11-9-8-10-12-19)28-29-22-14-13-21(35-4)17-25(22)36-28/h8-17H,5-7,18H2,1-4H3