methyl 4-methylsulfanyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanoate CAS Name: 4-(methylthio)-2-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]butanoate Traditional Name: 4-(methylthio)-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]butyric acid methyl ester Formula: C19H21N5O2S3 MolecularWeight: 447.59734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=S)NNC1=NC=NC2=C1SC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N5O2S3/c1-26-18(25)13(8-9-28-2)22-19(27)24-23-17-16-14(20-11-21-17)10-15(29-16)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,20,21,23)(H2,22,24,27)