N3-(4-bromophenyl)-2-(cyanomethyl)-N5-(2-hydroxyphenyl)-6-methoxy-4-(1-methylpyrrol-2-yl)-4H-thiopyran-3,5-dicarboxamide

Systemtic Name: N3-(4-bromophenyl)-2-(cyanomethyl)-N5-(2-hydroxyphenyl)-6-methoxy-4-(1-methylpyrrol-2-yl)-4H-thiopyran-3,5-dicarboxamide Openeye Name: N3-(4-bromophenyl)-2-(cyanomethyl)-N5-(2-hydroxyphenyl)-6-methoxy-4-(1-methylpyrrol-2-yl)-4H-thiopyran-3,5-dicarboxamide CAS Name: N3-(4-bromophenyl)-2-(cyanomethyl)-N5-(2-hydroxyphenyl)-6-methoxy-4-(1-methyl-2-pyrrolyl)-4H-thiopyran-3,5-dicarboxamide IUPAC Name: 3-N-(4-bromophenyl)-2-(cyanomethyl)-5-N-(2-hydroxyphenyl)-6-methoxy-4-(1-methylpyrrol-2-yl)-4H-thiopyran-3,5-dicarboxamide Traditional Name: N-(4-bromophenyl)-2-(cyanomethyl)-N'-(2-hydroxyphenyl)-6-methoxy-4-(1-methylpyrrol-2-yl)-4H-thiopyran-3,5-dicarboxamide Formula: C27H23BrN4O4S MolecularWeight: 579.46492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(=C(SC(=C2C(=O)NC3=CC=CC=C3O)OC)CC#N)C(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=CC=C1C2C(=C(SC(=C2C(=O)NC3=CC=CC=C3O)OC)CC#N)C(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C27H23BrN4O4S/c1-32-15-5-7-19(32)22-23(25(34)30-17-11-9-16(28)10-12-17)21(13-14-29)37-27(36-2)24(22)26(35)31-18-6-3-4-8-20(18)33/h3-12,15,22,33H,13H2,1-2H3,(H,30,34)(H,31,35)