4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoyl]piperazin-2-one

Systemtic Name: 4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoyl]piperazin-2-one Openeye Name: 4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoyl]piperazin-2-one CAS Name: 4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-1-oxobut-3-enyl]-2-piperazinone IUPAC Name: 4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoyl]piperazin-2-one Traditional Name: 4-[(Z)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)but-3-enoyl]piperazin-2-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(CC(=O)N2CCNC(=O)C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(/CC(=O)N2CCNC(=O)C2)\C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-28-17-8-6-15(7-9-17)12-16(13-21(27)25-11-10-23-20(26)14-25)22-24-18-4-2-3-5-19(18)29-22/h2-9,12H,10-11,13-14H2,1H3,(H,23,26)/b16-12-