4-bromanyl-3-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[[6-methyl-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[6-methyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[6-methyl-2-(p-tolyl)benzotriazol-5-yl]thiocarbamoyl]-2-naphthamide Formula: C27H22BrN5O2S MolecularWeight: 560.46488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br)C

InChI

InChI=1S/C27H22BrN5O2S/c1-15-8-10-18(11-9-15)33-31-22-12-16(2)21(14-23(22)32-33)29-27(36)30-26(34)20-13-17-6-4-5-7-19(17)24(28)25(20)35-3/h4-14H,1-3H3,(H2,29,30,34,36)