N-[3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(5-bromanylnaphthalen-1-yl)carbonylcarbamothioylamino]phenyl]thiophene-2-carboxamide Openeye Name: N-[3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[[[(5-bromo-1-naphthalenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[(5-bromo-1-naphthoyl)thiocarbamoylamino]phenyl]thiophene-2-carboxamide Formula: C23H16BrN3O2S2 MolecularWeight: 510.42604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H16BrN3O2S2/c24-19-10-3-7-16-17(19)8-2-9-18(16)21(28)27-23(30)26-15-6-1-5-14(13-15)25-22(29)20-11-4-12-31-20/h1-13H,(H,25,29)(H2,26,27,28,30)