1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-thiophen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-thiophen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(2-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=CC=CS2)N3CCCNCC3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=CS2)N3CCCNCC3)OCC4=CC=CC=C4

InChI

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