4-(3-imidazol-1-ylpropylamino)benzenecarbothioamide

Systemtic Name: 4-(3-imidazol-1-ylpropylamino)benzenecarbothioamide Openeye Name: 4-(3-imidazol-1-ylpropylamino)benzenecarbothioamide CAS Name: 4-[3-(1-imidazolyl)propylamino]benzenecarbothioamide IUPAC Name: 4-(3-imidazol-1-ylpropylamino)benzenecarbothioamide Traditional Name: 4-(3-imidazol-1-ylpropylamino)thiobenzamide Formula: C13H16N4S MolecularWeight: 260.35794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)N)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=S)N)NCCCN2C=CN=C2

InChI

InChI=1S/C13H16N4S/c14-13(18)11-2-4-12(5-3-11)16-6-1-8-17-9-7-15-10-17/h2-5,7,9-10,16H,1,6,8H2,(H2,14,18)