2-[(4-chlorophenyl)methylamino]pentanethioic S-acid

Systemtic Name: 2-[(4-chlorophenyl)methylamino]pentanethioic S-acid Openeye Name: 2-[(4-chlorophenyl)methylamino]pentanethioic S-acid CAS Name: 2-[(4-chlorophenyl)methylamino]pentanethioic S-acid IUPAC Name: 2-[(4-chlorophenyl)methylamino]pentanethioic S-acid Traditional Name: 2-[(4-chlorobenzyl)amino]thiovaleric acid Formula: C12H16ClNOS MolecularWeight: 257.77954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)S)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCC(C(=O)S)NCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C12H16ClNOS/c1-2-3-11(12(15)16)14-8-9-4-6-10(13)7-5-9/h4-7,11,14H,2-3,8H2,1H3,(H,15,16)