1-[(4-methylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylphenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[p-tolyl(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylphenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylphenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[p-tolyl(3-thienyl)methyl]-1,4-diazepane Formula: C17H22N2S MolecularWeight: 286.43498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CSC=C2)N3CCCNCC3

InChI

InChI=1S/C17H22N2S/c1-14-3-5-15(6-4-14)17(16-7-12-20-13-16)19-10-2-8-18-9-11-19/h3-7,12-13,17-18H,2,8-11H2,1H3