1-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-3-methyl-urea

Systemtic Name: 1-[4-[3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl]-3-methyl-urea Openeye Name: 1-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzothiophen-2-yl]phenyl]-3-methyl-urea CAS Name: 1-[4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-3-methylurea IUPAC Name: 1-[4-[6-hydroxy-3-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]-3-methylurea Traditional Name: 1-[4-[6-hydroxy-3-[3-methoxy-4-(pyrrolidinomethyl)benzyl]benzothiophen-2-yl]phenyl]-3-methyl-urea Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)CC4=CC(=C(C=C4)CN5CCCC5)OC

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)O)CC4=CC(=C(C=C4)CN5CCCC5)OC

InChI

InChI=1S/C29H31N3O3S/c1-30-29(34)31-22-9-7-20(8-10-22)28-25(24-12-11-23(33)17-27(24)36-28)15-19-5-6-21(26(16-19)35-2)18-32-13-3-4-14-32/h5-12,16-17,33H,3-4,13-15,18H2,1-2H3,(H2,30,31,34)