4-[4-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]amino]-3-methyl-1-benzothiophen-2-yl]phenol

Systemtic Name: 4-[4-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]amino]-3-methyl-1-benzothiophen-2-yl]phenol Openeye Name: 4-[4-[3-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-3-methyl-benzothiophen-2-yl]phenol CAS Name: 4-[4-[3-methoxy-4-(1-pyrrolidinylmethyl)anilino]-3-methyl-1-benzothiophen-2-yl]phenol IUPAC Name: 4-[4-[3-methoxy-4-(pyrrolidin-1-ylmethyl)anilino]-3-methyl-1-benzothiophen-2-yl]phenol Traditional Name: 4-[4-[3-methoxy-4-(pyrrolidinomethyl)anilino]-3-methyl-benzothiophen-2-yl]phenol Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)NC3=CC(=C(C=C3)CN4CCCC4)OC)C5=CC=C(C=C5)O

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)NC3=CC(=C(C=C3)CN4CCCC4)OC)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H28N2O2S/c1-18-26-23(6-5-7-25(26)32-27(18)19-9-12-22(30)13-10-19)28-21-11-8-20(24(16-21)31-2)17-29-14-3-4-15-29/h5-13,16,28,30H,3-4,14-15,17H2,1-2H3