[1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-morpholin-4-yl-methanethione

Systemtic Name: [1-(3-bromanyl-4-morpholin-4-yl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-morpholin-4-yl-methanethione Openeye Name: [1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-morpholino-methanethione CAS Name: [1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-3-pyrrolyl]-(4-morpholinyl)methanethione IUPAC Name: [1-(3-bromo-4-morpholin-4-ylphenyl)-2,5-dimethylpyrrol-3-yl]-morpholin-4-ylmethanethione Traditional Name: [1-(3-bromo-4-morpholino-phenyl)-2,5-dimethyl-pyrrol-3-yl]-morpholino-methanethione Formula: C21H26BrN3O2S MolecularWeight: 464.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C(=S)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C(=S)N4CCOCC4

InChI

InChI=1S/C21H26BrN3O2S/c1-15-13-18(21(28)24-7-11-27-12-8-24)16(2)25(15)17-3-4-20(19(22)14-17)23-5-9-26-10-6-23/h3-4,13-14H,5-12H2,1-2H3