S-(methylamino) N-[[3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-7-methoxy-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate

Systemtic Name: S-(methylamino) N-[[3-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-7-methoxy-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Openeye Name: S-(methylamino) N-[3-[(5-bromo-2-methoxy-benzoyl)amino]-7-methoxy-chroman-6-yl]sulfonylcarbamothioate CAS Name: N-[[3-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-7-methoxy-3,4-dihydro-2H-1-benzopyran-6-yl]sulfonyl]carbamothioic acid S-(methylamino) ester IUPAC Name: S-(methylamino) N-[[3-[(5-bromo-2-methoxybenzoyl)amino]-7-methoxy-3,4-dihydro-2H-chromen-6-yl]sulfonyl]carbamothioate Traditional Name: N-[3-[(5-bromo-2-methoxy-benzoyl)amino]-7-methoxy-chroman-6-yl]sulfonylthiocarbamic acid S-(methylamino) ester Formula: C20H22BrN3O7S2 MolecularWeight: 560.43858

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)NS(=O)(=O)C1=C(C=C2C(=C1)CC(CO2)NC(=O)C3=C(C=CC(=C3)Br)OC)OC

Isomeric SMILES

CNSC(=O)NS(=O)(=O)C1=C(C=C2C(=C1)CC(CO2)NC(=O)C3=C(C=CC(=C3)Br)OC)OC

InChI

InChI=1S/C20H22BrN3O7S2/c1-22-32-20(26)24-33(27,28)18-7-11-6-13(10-31-16(11)9-17(18)30-3)23-19(25)14-8-12(21)4-5-15(14)29-2/h4-5,7-9,13,22H,6,10H2,1-3H3,(H,23,25)(H,24,26)