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

Systemtic Name: methyl 3-phenyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]propanoate Openeye Name: methyl 3-phenyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]propanoate CAS Name: 3-phenyl-2-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-phenyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]propanoate Traditional Name: 3-phenyl-2-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]propionic acid methyl ester Formula: C23H21N5O2S2 MolecularWeight: 463.57514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N5O2S2/c1-30-22(29)18(12-15-8-4-2-5-9-15)26-23(31)28-27-21-20-17(24-14-25-21)13-19(32-20)16-10-6-3-7-11-16/h2-11,13-14,18H,12H2,1H3,(H,24,25,27)(H2,26,28,31)