N-[2,3-bis(chloranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2,3-bis(chloranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(2,3-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(2,3-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2,3-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(2,3-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C13H17Cl2N3S MolecularWeight: 318.26518

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=C(C(=CC=C2)Cl)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=C(C(=CC=C2)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3S/c1-17-6-3-7-18(9-8-17)13(19)16-11-5-2-4-10(14)12(11)15/h2,4-5H,3,6-9H2,1H3,(H,16,19)