N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloranyl-2-prop-2-enylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-allylsulfanyl-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-(prop-2-enylthio)-4-pyrimidinecarboxamide IUPAC Name: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(allylthio)-N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-chloro-pyrimidine-4-carboxamide Formula: C17H17ClN4O2S2 MolecularWeight: 408.92548

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl

Isomeric SMILES

C=CCSC1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl

InChI

InChI=1S/C17H17ClN4O2S2/c1-2-7-25-17-20-8-10(18)13(21-17)15(24)22-16-12(14(19)23)9-5-3-4-6-11(9)26-16/h2,8H,1,3-7H2,(H2,19,23)(H,22,24)