2-[2-[(3,4-dimethoxyphenyl)-morpholin-4-yl-methyl]pyrrol-1-yl]benzenecarbothioamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)-morpholin-4-yl-methyl]pyrrol-1-yl]benzenecarbothioamide Openeye Name: 2-[2-[(3,4-dimethoxyphenyl)-morpholino-methyl]pyrrol-1-yl]benzenecarbothioamide CAS Name: 2-[2-[(3,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-1-pyrrolyl]benzenecarbothioamide IUPAC Name: 2-[2-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]pyrrol-1-yl]benzenecarbothioamide Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)-morpholino-methyl]pyrrol-1-yl]thiobenzamide Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CN2C3=CC=CC=C3C(=S)N)N4CCOCC4)OC

InChI

InChI=1S/C24H27N3O3S/c1-28-21-10-9-17(16-22(21)29-2)23(26-12-14-30-15-13-26)20-8-5-11-27(20)19-7-4-3-6-18(19)24(25)31/h3-11,16,23H,12-15H2,1-2H3,(H2,25,31)