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

Systemtic Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxy-benzamide Openeye Name: 3-propoxy-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-propoxybenzamide Traditional Name: 3-propoxy-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)CC

InChI

InChI=1S/C28H29N3O3S/c1-4-15-33-23-8-6-7-21(16-23)26(32)31-28(35)29-22-12-9-19(10-13-22)27-30-24-17-20(18(3)5-2)11-14-25(24)34-27/h6-14,16-18H,4-5,15H2,1-3H3,(H2,29,31,32,35)