1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CSC=C2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2O2S/c1-27-23-16-20(8-9-22(23)28-17-19-6-3-2-4-7-19)24(21-10-15-29-18-21)26-13-5-11-25-12-14-26/h2-4,6-10,15-16,18,24-25H,5,11-14,17H2,1H3