N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-5-chloranyl-naphthalene-1-carboxamide Openeye Name: 5-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-5-chloro-1-naphthalenecarboxamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide Traditional Name: 5-chloro-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-1-naphthamide Formula: C29H23Cl2N3O2S MolecularWeight: 548.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Cl

InChI

InChI=1S/C29H23Cl2N3O2S/c1-3-16(2)17-11-13-26-25(14-17)32-28(36-26)18-10-12-23(31)24(15-18)33-29(37)34-27(35)21-8-4-7-20-19(21)6-5-9-22(20)30/h4-16H,3H2,1-2H3,(H2,33,34,35,37)