methyl 2-[[(3-bromanyl-4-methoxy-phenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[(3-bromanyl-4-methoxy-phenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[(3-bromo-4-methoxy-phenyl)methyleneamino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-[(3-bromo-4-methoxyphenyl)methylidene]hydrazinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[(3-bromo-4-methoxyphenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(3-bromo-4-methoxy-benzylidene)amino]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=NNC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

InChI=1S/C19H20BrN3O4S/c1-26-14-8-7-11(9-13(14)20)10-21-23-19(25)22-17-16(18(24)27-2)12-5-3-4-6-15(12)28-17/h7-10H,3-6H2,1-2H3,(H2,22,23,25)