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

Systemtic Name: 4-bromanyl-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: 4-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 4-bromo-N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: 4-bromo-N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]-2-naphthamide Formula: C27H22BrN5O3S MolecularWeight: 576.46428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5C(=C4OC)Br

InChI

InChI=1S/C27H22BrN5O3S/c1-3-36-19-11-9-18(10-12-19)33-31-22-13-8-17(15-23(22)32-33)29-27(37)30-26(34)21-14-16-6-4-5-7-20(16)24(28)25(21)35-2/h4-15H,3H2,1-2H3,(H2,29,30,34,37)