4-bromanyl-3-methoxy-N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[(2-isobutyltetrazol-5-yl)carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C18H19BrN6O2S MolecularWeight: 463.35146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC3=CC=CC=C3C(=C2OC)Br

InChI

InChI=1S/C18H19BrN6O2S/c1-10(2)9-25-23-17(22-24-25)21-18(28)20-16(26)13-8-11-6-4-5-7-12(11)14(19)15(13)27-3/h4-8,10H,9H2,1-3H3,(H2,20,21,23,26,28)