N4-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]-N1-(phenylmethyl)benzene-1,4-dicarboxamide

Systemtic Name: N4-[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]-N1-(phenylmethyl)benzene-1,4-dicarboxamide Openeye Name: N1-benzyl-N4-[3-[2-oxo-2-(p-tolyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]terephthalamide CAS Name: N4-[3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]-N1-(phenylmethyl)benzene-1,4-dicarboxamide IUPAC Name: 1-N-benzyl-4-N-[3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]benzene-1,4-dicarboxamide Traditional Name: N-benzyl-N'-[3-[2-keto-2-(p-tolyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylidene]terephthalamide Formula: C31H29N3O3S MolecularWeight: 523.64526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=NC(=O)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=NC(=O)C4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3S/c1-21-11-13-23(14-12-21)27(35)20-34-26-9-5-6-10-28(26)38-31(34)33-30(37)25-17-15-24(16-18-25)29(36)32-19-22-7-3-2-4-8-22/h2-4,7-8,11-18H,5-6,9-10,19-20H2,1H3,(H,32,36)