2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[(3-bromo-4-methoxybenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)Br

InChI

InChI=1S/C18H19BrN2O3S/c1-24-13-8-7-10(9-12(13)19)17(23)21-18-15(16(20)22)11-5-3-2-4-6-14(11)25-18/h7-9H,2-6H2,1H3,(H2,20,22)(H,21,23)