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

Systemtic Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O4S/c1-5-14-34-21-10-6-18(7-11-21)26(32)31-28(36)30-22-16-20(9-12-24(22)33-4)27-29-23-15-19(17(2)3)8-13-25(23)35-27/h6-13,15-17H,5,14H2,1-4H3,(H2,30,31,32,36)