1-[[2,3-bis(chloranyl)phenyl]-(3-methylthiophen-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[[2,3-bis(chloranyl)phenyl]-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(2,3-dichlorophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2,3-dichlorophenyl)-(3-methyl-2-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2,3-dichlorophenyl)-(3-methylthiophen-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(2,3-dichlorophenyl)-(3-methyl-2-thienyl)methyl]-1,4-diazepane Formula: C17H20Cl2N2S MolecularWeight: 355.3251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20Cl2N2S/c1-12-6-11-22-17(12)16(21-9-3-7-20-8-10-21)13-4-2-5-14(18)15(13)19/h2,4-6,11,16,20H,3,7-10H2,1H3