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

Systemtic Name: N-(2-azanylethyl)-1-(3-methylphenyl)carbonyl-3-(2-thiophen-2-ylethanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-methylphenyl)-oxomethyl]-3-(1-oxo-2-thiophen-2-ylethyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-m-toluoyl-3-[2-(2-thienyl)acetyl]hexahydropyrimidine-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(C2C(=O)NCCN)C(=O)CC3=CC=CS3

InChI

InChI=1S/C21H26N4O3S/c1-15-5-2-6-16(13-15)21(28)25-11-4-10-24(20(25)19(27)23-9-8-22)18(26)14-17-7-3-12-29-17/h2-3,5-7,12-13,20H,4,8-11,14,22H2,1H3,(H,23,27)