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

Systemtic Name: ethyl 3-[[(6-phenylthieno[3,2-d]pyrimidin-4-yl)amino]carbamothioylamino]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H17N5O2S3 MolecularWeight: 455.57628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S3/c1-2-27-19(26)17-13(8-9-29-17)23-20(28)25-24-18-16-14(21-11-22-18)10-15(30-16)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,21,22,24)(H2,23,25,28)