methyl N-(2-methyl-6-propan-2-yl-phenyl)-N'-nonanoyl-carbamimidothioate

Systemtic Name: methyl N-(2-methyl-6-propan-2-yl-phenyl)-N'-nonanoyl-carbamimidothioate Openeye Name: N-[(2-isopropyl-6-methyl-anilino)-methylsulfanyl-methylene]nonanamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-N'-(1-oxononyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(2-methyl-6-propan-2-ylphenyl)-N'-nonanoylcarbamimidothioate Traditional Name: N-[(2-isopropyl-6-methyl-anilino)-(methylthio)methylene]pelargonamide Formula: C21H34N2OS MolecularWeight: 362.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N=C(NC1=C(C=CC=C1C(C)C)C)SC

Isomeric SMILES

CCCCCCCCC(=O)N=C(NC1=C(C=CC=C1C(C)C)C)SC

InChI

InChI=1S/C21H34N2OS/c1-6-7-8-9-10-11-15-19(24)22-21(25-5)23-20-17(4)13-12-14-18(20)16(2)3/h12-14,16H,6-11,15H2,1-5H3,(H,22,23,24)