N-[4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C21H18BrN3O3S2 MolecularWeight: 504.41992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H18BrN3O3S2/c1-12-10-13(22)11-16(18(12)28-2)19(26)25-21(29)24-15-7-5-14(6-8-15)23-20(27)17-4-3-9-30-17/h3-11H,1-2H3,(H,23,27)(H2,24,25,26,29)