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

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3-butoxy-benzamide Openeye Name: 3-butoxy-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3-butoxybenzamide Traditional Name: 3-butoxy-N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C29H30ClN3O3S MolecularWeight: 536.0848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC)Cl

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC)Cl

InChI

InChI=1S/C29H30ClN3O3S/c1-4-6-14-35-22-9-7-8-20(15-22)27(34)33-29(37)32-24-17-21(10-12-23(24)30)28-31-25-16-19(18(3)5-2)11-13-26(25)36-28/h7-13,15-18H,4-6,14H2,1-3H3,(H2,32,33,34,37)