N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-1-N-(3-bromophenyl)-3-thiophen-2-ylsulfonyl-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-N-(3-bromophenyl)-3-(2-thienylsulfonyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C18H22BrN5O4S2 MolecularWeight: 516.43238

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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)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H22BrN5O4S2/c19-13-4-1-5-14(12-13)22-18(26)23-9-3-10-24(17(23)16(25)21-8-7-20)30(27,28)15-6-2-11-29-15/h1-2,4-6,11-12,17H,3,7-10,20H2,(H,21,25)(H,22,26)