N-(2-azanylethyl)-1-[2-(4-methoxyphenyl)ethanoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-[2-(4-methoxyphenyl)ethanoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)-1-oxoethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)acetyl]-3-(2-thienylsulfonyl)hexahydropyrimidine-2-carboxamide Formula: C20H26N4O5S2 MolecularWeight: 466.57424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O5S2/c1-29-16-7-5-15(6-8-16)14-17(25)23-11-3-12-24(20(23)19(26)22-10-9-21)31(27,28)18-4-2-13-30-18/h2,4-8,13,20H,3,9-12,14,21H2,1H3,(H,22,26)