4-[4-[(Z)-N-[(2,4-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]butanoate

Systemtic Name: 4-[4-[(Z)-N-[(2,4-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]butanoate Openeye Name: 4-[4-[(Z)-N-[(2,4-dimethylphenyl)carbamothioylamino]-C-methyl-carbonimidoyl]phenoxy]butanoate CAS Name: 4-[4-[(1Z)-1-[[(2,4-dimethylanilino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenoxy]butanoate IUPAC Name: 4-[4-[(Z)-N-[(2,4-dimethylphenyl)carbamothioylamino]-C-methylcarbonimidoyl]phenoxy]butanoate Traditional Name: 4-[4-[(Z)-N-[(2,4-dimethylphenyl)thiocarbamoylamino]-C-methyl-carbonimidoyl]phenoxy]butyrate Formula: C21H24N3O3S- MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NN=C(C)C2=CC=C(C=C2)OCCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N/N=C(/C)\C2=CC=C(C=C2)OCCCC(=O)[O-])C

InChI

InChI=1S/C21H25N3O3S/c1-14-6-11-19(15(2)13-14)22-21(28)24-23-16(3)17-7-9-18(10-8-17)27-12-4-5-20(25)26/h6-11,13H,4-5,12H2,1-3H3,(H,25,26)(H2,22,24,28)/p-1/b23-16-