1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3,4-diethoxyphenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3,4-diethoxyphenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CS2)C)N3CCCNCC3)OCC

InChI

InChI=1S/C21H30N2O2S/c1-4-24-18-8-7-17(14-19(18)25-5-2)21(20-13-16(3)15-26-20)23-11-6-9-22-10-12-23/h7-8,13-15,21-22H,4-6,9-12H2,1-3H3