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

Systemtic Name: methyl 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[(6-phenyl-4-thieno[3,2-d]pyrimidinyl)hydrazo]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C19H15N5O2S3 MolecularWeight: 441.5497

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NNC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O2S3/c1-26-18(25)16-12(7-8-28-16)22-19(27)24-23-17-15-13(20-10-21-17)9-14(29-15)11-5-3-2-4-6-11/h2-10H,1H3,(H,20,21,23)(H2,22,24,27)