N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[2-chloro-5-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C31H34ClN3O5S MolecularWeight: 596.13676

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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(=C(C(=C4)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C31H34ClN3O5S/c1-6-18(5)19-11-13-25-24(14-19)33-30(40-25)20-10-12-22(32)23(15-20)34-31(41)35-29(36)21-16-26(37-7-2)28(39-9-4)27(17-21)38-8-3/h10-18H,6-9H2,1-5H3,(H2,34,35,36,41)