N-[3,5-bis(chloranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(3,5-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=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H17Cl2N3S/c1-17-3-2-4-18(6-5-17)13(19)16-12-8-10(14)7-11(15)9-12/h7-9H,2-6H2,1H3,(H,16,19)