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

Systemtic Name: 1-[(4-chlorophenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-chlorophenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(4-chlorophenyl)-(4-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-chlorophenyl)-(4-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(4-chlorophenyl)-(4-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H21ClN2S MolecularWeight: 320.88004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2S/c1-13-11-16(21-12-13)17(14-3-5-15(18)6-4-14)20-9-2-7-19-8-10-20/h3-6,11-12,17,19H,2,7-10H2,1H3