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

Systemtic Name: ethyl 2-[[(3-bromanyl-4-methoxy-phenyl)methylideneamino]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H22BrN3O4S MolecularWeight: 480.37538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NN=CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H22BrN3O4S/c1-3-28-19(25)17-13-6-4-5-7-16(13)29-18(17)23-20(26)24-22-11-12-8-9-15(27-2)14(21)10-12/h8-11H,3-7H2,1-2H3,(H2,23,24,26)