N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-chloro-naphthalene-1-carboxamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-5-chloro-1-naphthamide Formula: C29H24ClN3O2S MolecularWeight: 514.03776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C29H24ClN3O2S/c1-29(2,3)18-12-10-17(11-13-18)27-32-24-16-19(14-15-25(24)35-27)31-28(36)33-26(34)22-8-4-7-21-20(22)6-5-9-23(21)30/h4-16H,1-3H3,(H2,31,33,34,36)