N-(2-azanylethyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(3-fluorophenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(3-fluorophenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(3-fluorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(3-fluorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C18H20ClFN4O4S2 MolecularWeight: 474.957203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(S2)Cl)C(=O)NCCN)C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C18H20ClFN4O4S2/c19-14-5-6-15(29-14)30(27,28)24-10-2-9-23(17(24)16(25)22-8-7-21)18(26)12-3-1-4-13(20)11-12/h1,3-6,11,17H,2,7-10,21H2,(H,22,25)