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

Systemtic Name: actinium; ethyl 2-[(2-chlorophenyl)carbonylamino]-3-(4-piperazin-4-id-1-ylcarbothioyloxyphenyl)propanoate Openeye Name: actinium; ethyl 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazin-4-ide-1-carbothioyloxy)phenyl]propanoate CAS Name: actinium; 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-[4-[1-piperazin-4-idyl(sulfanylidene)methoxy]phenyl]propanoic acid ethyl ester IUPAC Name: actinium; ethyl 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazin-4-ide-1-carbothioyloxy)phenyl]propanoate Traditional Name: actinium; 2-[(2-chlorobenzoyl)amino]-3-[4-(piperazin-4-ide-1-carbothioyloxy)phenyl]propionic acid ethyl ester Formula: C23H25AcClN3O4S- MolecularWeight: 702.008047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=S)N2CC[N-]CC2)NC(=O)C3=CC=CC=C3Cl.[Ac]

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=S)N2CC[N-]CC2)NC(=O)C3=CC=CC=C3Cl.[Ac]

InChI

InChI=1S/C23H25ClN3O4S.Ac/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;/h3-10,20H,2,11-15H2,1H3,(H,26,28);/q-1;