S-methyl 2-[bis[(4-methylphenyl)amino]methylideneamino]pentanethioate

Systemtic Name: S-methyl 2-[bis[(4-methylphenyl)amino]methylideneamino]pentanethioate Openeye Name: S-methyl 2-[bis(4-methylanilino)methyleneamino]pentanethioate CAS Name: 2-[bis(4-methylanilino)methylideneamino]pentanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[bis(4-methylanilino)methylideneamino]pentanethioate Traditional Name: 2-[bis(p-toluidino)methyleneamino]pentanethioic acid S-methyl ester Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)SC)N=C(NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCC(C(=O)SC)N=C(NC1=CC=C(C=C1)C)NC2=CC=C(C=C2)C

InChI

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