N-(2-azanylethyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-(4-methylphenyl)carbonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-(4-methylbenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-[(4-methylphenyl)-oxomethyl]-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(5-chlorothiophen-2-yl)sulfonyl-3-(4-methylbenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-[(5-chloro-2-thienyl)sulfonyl]-3-p-toluoyl-hexahydropyrimidine-2-carboxamide Formula: C19H23ClN4O4S2 MolecularWeight: 470.99332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN4O4S2/c1-13-3-5-14(6-4-13)19(26)23-11-2-12-24(18(23)17(25)22-10-9-21)30(27,28)16-8-7-15(20)29-16/h3-8,18H,2,9-12,21H2,1H3,(H,22,25)