N-(2-carbamothioylphenyl)-3-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]propanamide

Systemtic Name: N-(2-carbamothioylphenyl)-3-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]propanamide Openeye Name: N-(2-carbamothioylphenyl)-3-[methyl-[2-(methylamino)-2-oxo-ethyl]amino]propanamide CAS Name: N-(2-carbamothioylphenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide IUPAC Name: N-(2-carbamothioylphenyl)-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide Traditional Name: 3-[[2-keto-2-(methylamino)ethyl]-methyl-amino]-N-(2-thiocarbamoylphenyl)propionamide Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)CCC(=O)NC1=CC=CC=C1C(=S)N

Isomeric SMILES

CNC(=O)CN(C)CCC(=O)NC1=CC=CC=C1C(=S)N

InChI

InChI=1S/C14H20N4O2S/c1-16-13(20)9-18(2)8-7-12(19)17-11-6-4-3-5-10(11)14(15)21/h3-6H,7-9H2,1-2H3,(H2,15,21)(H,16,20)(H,17,19)