methyl 2-[[(Z)-C-(4-bromophenyl)-N-morpholin-4-ylcarbothioyl-carbonimidoyl]-methyl-amino]ethanoate

Systemtic Name: methyl 2-[[(Z)-C-(4-bromophenyl)-N-morpholin-4-ylcarbothioyl-carbonimidoyl]-methyl-amino]ethanoate Openeye Name: methyl 2-[[(Z)-C-(4-bromophenyl)-N-(morpholine-4-carbothioyl)carbonimidoyl]-methyl-amino]acetate CAS Name: 2-[[(Z)-(4-bromophenyl)-[4-morpholinyl(sulfanylidene)methyl]iminomethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(Z)-C-(4-bromophenyl)-N-(morpholine-4-carbothioyl)carbonimidoyl]-methylamino]acetate Traditional Name: 2-[[(Z)-C-(4-bromophenyl)-N-(morpholine-4-carbothioyl)carbonimidoyl]-methyl-amino]acetic acid methyl ester Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC)C(=NC(=S)N1CCOCC1)C2=CC=C(C=C2)Br

Isomeric SMILES

CN(CC(=O)OC)/C(=N\C(=S)N1CCOCC1)/C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H20BrN3O3S/c1-19(11-14(21)22-2)15(12-3-5-13(17)6-4-12)18-16(24)20-7-9-23-10-8-20/h3-6H,7-11H2,1-2H3/b18-15-