ethyl 2-[(2-chlorophenyl)carbonylamino]-3-(4-piperazin-1-ylcarbothioyloxyphenyl)propanoate

Systemtic Name: ethyl 2-[(2-chlorophenyl)carbonylamino]-3-(4-piperazin-1-ylcarbothioyloxyphenyl)propanoate Openeye Name: ethyl 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propanoate CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-[4-[1-piperazinyl(sulfanylidene)methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propanoate Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazine-1-carbothioyloxy)phenyl]propionic acid ethyl ester Formula: C23H26ClN3O4S MolecularWeight: 475.98824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=S)N2CCNCC2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=S)N2CCNCC2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H26ClN3O4S/c1-2-30-22(29)20(26-21(28)18-5-3-4-6-19(18)24)15-16-7-9-17(10-8-16)31-23(32)27-13-11-25-12-14-27/h3-10,20,25H,2,11-15H2,1H3,(H,26,28)