N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[[2-[4-(diethylamino)phenyl]-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-[4-(diethylamino)phenyl]-6-methyl-benzotriazol-5-yl]thiocarbamoyl]coumarilamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)C

InChI

InChI=1S/C27H26N6O2S/c1-4-32(5-2)19-10-12-20(13-11-19)33-30-22-14-17(3)21(16-23(22)31-33)28-27(36)29-26(34)25-15-18-8-6-7-9-24(18)35-25/h6-16H,4-5H2,1-3H3,(H2,28,29,34,36)