6-[3-[methyl(phenyl)amino]propylamino]pyridine-3-carbothioamide

Systemtic Name: 6-[3-[methyl(phenyl)amino]propylamino]pyridine-3-carbothioamide Openeye Name: 6-[3-(N-methylanilino)propylamino]pyridine-3-carbothioamide CAS Name: 6-[3-(N-methylanilino)propylamino]-3-pyridinecarbothioamide IUPAC Name: 6-[3-(N-methylanilino)propylamino]pyridine-3-carbothioamide Traditional Name: 6-[3-(N-methylanilino)propylamino]thionicotinamide Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC1=NC=C(C=C1)C(=S)N)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC1=NC=C(C=C1)C(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C16H20N4S/c1-20(14-6-3-2-4-7-14)11-5-10-18-15-9-8-13(12-19-15)16(17)21/h2-4,6-9,12H,5,10-11H2,1H3,(H2,17,21)(H,18,19)