3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-yl-amino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-1-yl]-3-[isopropyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propan-1-one CAS Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazino]-3-[isopropyl-(3-m-anisyl-1,2,4-thiadiazol-5-yl)amino]propan-1-one Formula: C29H37N5O2S MolecularWeight: 519.70138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(=O)N1CCN(CC1)CC=CC2=CC=CC=C2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)N(CCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2)C3=NC(=NS3)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C29H37N5O2S/c1-23(2)34(29-30-27(31-37-29)22-25-11-7-13-26(21-25)36-3)16-14-28(35)33-19-17-32(18-20-33)15-8-12-24-9-5-4-6-10-24/h4-13,21,23H,14-20,22H2,1-3H3/b12-8+