5-[2-(4-methylphenoxy)ethyliminomethyl]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[2-(4-methylphenoxy)ethyliminomethyl]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-benzyl-5-[2-(4-methylphenoxy)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[2-(4-methylphenoxy)ethyliminomethyl]-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-benzyl-5-[2-(4-methylphenoxy)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-benzyl-5-[2-(4-methylphenoxy)ethyliminomethyl]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN=CC2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCCN=CC2C(=O)NC(=S)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-15-7-9-17(10-8-15)27-12-11-22-13-18-19(25)23-21(28)24(20(18)26)14-16-5-3-2-4-6-16/h2-10,13,18H,11-12,14H2,1H3,(H,23,25,28)