N-[(4-chlorophenyl)methyl]-N-[4-oxidanylidene-4-(phenethylamino)butyl]carbamodithioate

Systemtic Name: N-[(4-chlorophenyl)methyl]-N-[4-oxidanylidene-4-(phenethylamino)butyl]carbamodithioate Openeye Name: N-[(4-chlorophenyl)methyl]-N-[4-oxo-4-(phenethylamino)butyl]carbamodithioate CAS Name: N-[(4-chlorophenyl)methyl]-N-[4-oxo-4-(phenethylamino)butyl]carbamodithioate IUPAC Name: N-[(4-chlorophenyl)methyl]-N-[4-oxo-4-(phenethylamino)butyl]carbamodithioate Traditional Name: N-(4-chlorobenzyl)-N-[4-keto-4-(phenethylamino)butyl]carbamodithioate Formula: C20H22ClN2OS2- MolecularWeight: 405.98448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CCCN(CC2=CC=C(C=C2)Cl)C(=S)[S-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CCCN(CC2=CC=C(C=C2)Cl)C(=S)[S-]

InChI

InChI=1S/C20H23ClN2OS2/c21-18-10-8-17(9-11-18)15-23(20(25)26)14-4-7-19(24)22-13-12-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,22,24)(H,25,26)/p-1