2-[(2-chlorophenyl)carbonylamino]-3-(4-piperazin-1-ylcarbothioyloxyphenyl)propanoic acid

Systemtic Name: 2-[(2-chlorophenyl)carbonylamino]-3-(4-piperazin-1-ylcarbothioyloxyphenyl)propanoic acid Openeye Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propanoic acid CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-[4-[1-piperazinyl(sulfanylidene)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propanoic acid Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propionic acid Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CCN1)C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O4S/c22-17-4-2-1-3-16(17)19(26)24-18(20(27)28)13-14-5-7-15(8-6-14)29-21(30)25-11-9-23-10-12-25/h1-8,18,23H,9-13H2,(H,24,26)(H,27,28)