2-[4-(4-azanylbutyl)phenyl]benzenecarbothioamide

Systemtic Name: 2-[4-(4-azanylbutyl)phenyl]benzenecarbothioamide Openeye Name: 2-[4-(4-aminobutyl)phenyl]benzenecarbothioamide CAS Name: 2-[4-(4-aminobutyl)phenyl]benzenecarbothioamide IUPAC Name: 2-[4-(4-aminobutyl)phenyl]benzenecarbothioamide Traditional Name: 2-[4-(4-aminobutyl)phenyl]thiobenzamide Formula: C17H20N2S MolecularWeight: 284.4191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCCN)C(=S)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCCN)C(=S)N

InChI

InChI=1S/C17H20N2S/c18-12-4-3-5-13-8-10-14(11-9-13)15-6-1-2-7-16(15)17(19)20/h1-2,6-11H,3-5,12,18H2,(H2,19,20)