5-bromanyl-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(ethanoylcarbamothioylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-bromo-naphthalene-1-carboxamide CAS Name: N-[[4-[[acetamido(sulfanylidene)methyl]amino]anilino]-sulfanylidenemethyl]-5-bromo-1-naphthalenecarboxamide IUPAC Name: N-[[4-(acetylcarbamothioylamino)phenyl]carbamothioyl]-5-bromonaphthalene-1-carboxamide Traditional Name: N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-5-bromo-1-naphthamide Formula: C21H17BrN4O2S2 MolecularWeight: 501.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C21H17BrN4O2S2/c1-12(27)23-20(29)24-13-8-10-14(11-9-13)25-21(30)26-19(28)17-6-2-5-16-15(17)4-3-7-18(16)22/h2-11H,1H3,(H2,23,24,27,29)(H2,25,26,28,30)