methyl 4-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-(p-tolylmethyl)thiazol-2-ylidene]carbamothioylamino]butanoate CAS Name: 4-[[[[3-[(4-methylphenyl)methyl]-2-thiazolylidene]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate Traditional Name: 4-[[3-(4-methylbenzyl)-4-thiazolin-2-ylidene]thiocarbamoylamino]butyric acid methyl ester Formula: C17H21N3O2S2 MolecularWeight: 363.49754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CSC2=NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CSC2=NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C17H21N3O2S2/c1-13-5-7-14(8-6-13)12-20-10-11-24-17(20)19-16(23)18-9-3-4-15(21)22-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,18,23)