[3-azanyl-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone

Systemtic Name: [3-azanyl-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone Openeye Name: [3-amino-4-(pyrrolidin-1-ylmethyl)phenyl]-[6-benzyloxy-2-(dimethylamino)benzothiophen-3-yl]methanone CAS Name: [3-amino-4-(1-pyrrolidinylmethyl)phenyl]-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone IUPAC Name: [3-amino-4-(pyrrolidin-1-ylmethyl)phenyl]-[2-(dimethylamino)-6-phenylmethoxy-1-benzothiophen-3-yl]methanone Traditional Name: [3-amino-4-(pyrrolidinomethyl)phenyl]-[6-benzoxy-2-(dimethylamino)benzothiophen-3-yl]methanone Formula: C29H31N3O2S MolecularWeight: 485.64034

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C2=C(S1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)CN5CCCC5)N

Isomeric SMILES

CN(C)C1=C(C2=C(S1)C=C(C=C2)OCC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)CN5CCCC5)N

InChI

InChI=1S/C29H31N3O2S/c1-31(2)29-27(28(33)21-10-11-22(25(30)16-21)18-32-14-6-7-15-32)24-13-12-23(17-26(24)35-29)34-19-20-8-4-3-5-9-20/h3-5,8-13,16-17H,6-7,14-15,18-19,30H2,1-2H3