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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNSC(=O)N(NC(=O)C1=C(C=CC(=C1)Br)OC)S(=O)(=O)C2CC3=C(C=C(C=C3)OC)OC2

Isomeric SMILES

CNSC(=O)N(NC(=O)C1=C(C=CC(=C1)Br)OC)S(=O)(=O)C2CC3=C(C=C(C=C3)OC)OC2

InChI

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