N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide

Systemtic Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide Openeye Name: 4-benzyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylmethyl)benzamide IUPAC Name: 4-benzyl-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-benzyl-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H22N2O2S MolecularWeight: 426.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)CC4=CC=CC=C4)S2)CC#C

InChI

InChI=1S/C26H22N2O2S/c1-3-16-28-23-15-14-22(30-4-2)18-24(23)31-26(28)27-25(29)21-12-10-20(11-13-21)17-19-8-6-5-7-9-19/h1,5-15,18H,4,16-17H2,2H3