4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-phenethyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C28H31N2O5PS MolecularWeight: 538.594901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)CCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)CCC4=CC=CC=C4)OCC

InChI

InChI=1S/C28H31N2O5PS/c1-4-34-36(32,35-5-2)20-22-14-16-23(17-15-22)27(31)29-28-30(19-18-21-10-7-6-8-11-21)26-24(33-3)12-9-13-25(26)37-28/h6-17H,4-5,18-20H2,1-3H3