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

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dichlorophenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3,4-dichlorophenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dichlorobenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C20H22Cl2N4O3S MolecularWeight: 469.38468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(C(N(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H22Cl2N4O3S/c21-15-5-4-13(11-16(15)22)20(29)26-9-2-8-25(19(26)18(28)24-7-6-23)17(27)12-14-3-1-10-30-14/h1,3-5,10-11,19H,2,6-9,12,23H2,(H,24,28)