N-[4-[3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-[3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[4-[6-hydroxy-3-[[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[4-[6-hydroxy-3-[3-methyl-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]-5-keto-pyrrolidine-2-carboxamide Formula: C32H33N3O3S MolecularWeight: 539.68772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C5CCC(=O)N5)CN6CCCC6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)NC(=O)C5CCC(=O)N5)CN6CCCC6

InChI

InChI=1S/C32H33N3O3S/c1-20-16-21(4-5-23(20)19-35-14-2-3-15-35)17-27-26-11-10-25(36)18-29(26)39-31(27)22-6-8-24(9-7-22)33-32(38)28-12-13-30(37)34-28/h4-11,16,18,28,36H,2-3,12-15,17,19H2,1H3,(H,33,38)(H,34,37)