5-bromanyl-N-[1-[3-methyl-4-(4-oxidanylpiperazin-1-yl)carbonyl-phenyl]-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[1-[3-methyl-4-(4-oxidanylpiperazin-1-yl)carbonyl-phenyl]-5-oxidanylidene-pyrrolidin-3-yl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[1-[4-(4-hydroxypiperazine-1-carbonyl)-3-methyl-phenyl]-5-oxo-pyrrolidin-3-yl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[1-[4-[(4-hydroxy-1-piperazinyl)-oxomethyl]-3-methylphenyl]-5-oxo-3-pyrrolidinyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[1-[4-(4-hydroxypiperazine-1-carbonyl)-3-methylphenyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[1-[4-(4-hydroxypiperazine-1-carbonyl)-3-methyl-phenyl]-5-keto-pyrrolidin-3-yl]thiophene-2-carboxamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)C(=O)N4CCN(CC4)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Br)C(=O)N4CCN(CC4)O

InChI

InChI=1S/C21H23BrN4O4S/c1-13-10-15(2-3-16(13)21(29)24-6-8-25(30)9-7-24)26-12-14(11-19(26)27)23-20(28)17-4-5-18(22)31-17/h2-5,10,14,30H,6-9,11-12H2,1H3,(H,23,28)