S-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl] benzenecarbothioate

Systemtic Name: S-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl] benzenecarbothioate Openeye Name: S-[4-(4-chlorophenyl)-3-morpholino-1H-pyrrol-2-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-(4-chlorophenyl)-3-(4-morpholinyl)-1H-pyrrol-2-yl] ester IUPAC Name: S-[4-(4-chlorophenyl)-3-morpholin-4-yl-1H-pyrrol-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-(4-chlorophenyl)-3-morpholino-1H-pyrrol-2-yl] ester Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(NC=C2C3=CC=C(C=C3)Cl)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(NC=C2C3=CC=C(C=C3)Cl)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19ClN2O2S/c22-17-8-6-15(7-9-17)18-14-23-20(19(18)24-10-12-26-13-11-24)27-21(25)16-4-2-1-3-5-16/h1-9,14,23H,10-13H2