2-[(4-butylphenyl)amino]pyridine-3-carbothioamide

Systemtic Name: 2-[(4-butylphenyl)amino]pyridine-3-carbothioamide Openeye Name: 2-(4-butylanilino)pyridine-3-carbothioamide CAS Name: 2-(4-butylanilino)-3-pyridinecarbothioamide IUPAC Name: 2-(4-butylanilino)pyridine-3-carbothioamide Traditional Name: 2-(4-butylanilino)thionicotinamide Formula: C16H19N3S MolecularWeight: 285.40716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=S)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=S)N

InChI

InChI=1S/C16H19N3S/c1-2-3-5-12-7-9-13(10-8-12)19-16-14(15(17)20)6-4-11-18-16/h4,6-11H,2-3,5H2,1H3,(H2,17,20)(H,18,19)