O-methyl 2-[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino]pentanethioate

Systemtic Name: O-methyl 2-[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino]pentanethioate Openeye Name: O-methyl 2-(4-methyl-N-[N'-(p-tolyl)carbamimidoyl]anilino)pentanethioate CAS Name: 2-(N-[amino-(4-methylphenyl)iminomethyl]-4-methylanilino)pentanethioic acid O-methyl ester IUPAC Name: O-methyl 2-(4-methyl-N-[N'-(4-methylphenyl)carbamimidoyl]anilino)pentanethioate Traditional Name: 2-(4-methyl-N-[N'-(p-tolyl)amidino]anilino)pentanethioic acid O-methyl ester Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=S)OC)N(C1=CC=C(C=C1)C)C(=NC2=CC=C(C=C2)C)N

Isomeric SMILES

CCCC(C(=S)OC)N(C1=CC=C(C=C1)C)C(=NC2=CC=C(C=C2)C)N

InChI

InChI=1S/C21H27N3OS/c1-5-6-19(20(26)25-4)24(18-13-9-16(3)10-14-18)21(22)23-17-11-7-15(2)8-12-17/h7-14,19H,5-6H2,1-4H3,(H2,22,23)