N-(2-azanylethyl)-1-(2,4-dichlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2,4-dichlorophenyl)carbonyl-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(2,4-dichlorobenzoyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C18H20Cl2N4O4S2 MolecularWeight: 491.4118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O4S2/c19-12-4-5-13(14(20)11-12)18(26)23-8-2-9-24(17(23)16(25)22-7-6-21)30(27,28)15-3-1-10-29-15/h1,3-5,10-11,17H,2,6-9,21H2,(H,22,25)