3-(3-methoxy-4-phenylmethoxy-phenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-(3-methoxy-4-phenylmethoxy-phenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(4-benzyloxy-3-methoxy-phenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazino]prop-2-en-1-one Formula: C29H28N4O3S MolecularWeight: 512.62262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3S/c1-35-26-20-22(12-14-25(26)36-21-23-8-4-2-5-9-23)13-15-27(34)32-16-18-33(19-17-32)29-30-28(31-37-29)24-10-6-3-7-11-24/h2-15,20H,16-19,21H2,1H3