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

Systemtic Name: methyl 4-[[3-(phenylmethyl)-1,3-thiazol-2-ylidene]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-benzylthiazol-2-ylidene)carbamothioylamino]butanoate CAS Name: 4-[[[[3-(phenylmethyl)-2-thiazolylidene]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamothioylamino]butanoate Traditional Name: 4-[(3-benzyl-4-thiazolin-2-ylidene)thiocarbamoylamino]butyric acid methyl ester Formula: C16H19N3O2S2 MolecularWeight: 349.47096

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N=C1N(C=CS1)CC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O2S2/c1-21-14(20)8-5-9-17-15(22)18-16-19(10-11-23-16)12-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,12H2,1H3,(H,17,22)