N-[4-[(3-bromophenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[(3-bromophenyl)carbonylcarbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[(3-bromobenzoyl)carbamothioylamino]-2-methoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[(3-bromobenzoyl)carbamothioylamino]-2-methoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[(3-bromobenzoyl)thiocarbamoylamino]-2-methoxy-phenyl]thiophene-2-carboxamide Formula: C20H16BrN3O3S2 MolecularWeight: 490.39334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)NC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16BrN3O3S2/c1-27-16-11-14(7-8-15(16)23-19(26)17-6-3-9-29-17)22-20(28)24-18(25)12-4-2-5-13(21)10-12/h2-11H,1H3,(H,23,26)(H2,22,24,25,28)