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

Systemtic Name: O-[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino] pentanethioate Openeye Name: O-(4-methyl-N-[N'-(p-tolyl)carbamimidoyl]anilino) pentanethioate CAS Name: pentanethioic acid O-(N-[amino-(4-methylphenyl)iminomethyl]-4-methylanilino) ester IUPAC Name: O-(4-methyl-N-[N'-(4-methylphenyl)carbamimidoyl]anilino) pentanethioate Traditional Name: pentanethioic acid O-(4-methyl-N-[N'-(p-tolyl)amidino]anilino) ester Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=S)ON(C1=CC=C(C=C1)C)C(=NC2=CC=C(C=C2)C)N

Isomeric SMILES

CCCCC(=S)ON(C1=CC=C(C=C1)C)C(=NC2=CC=C(C=C2)C)N

InChI

InChI=1S/C20H25N3OS/c1-4-5-6-19(25)24-23(18-13-9-16(3)10-14-18)20(21)22-17-11-7-15(2)8-12-17/h7-14H,4-6H2,1-3H3,(H2,21,22)