N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propan-2-yloxy-benzamide

Systemtic Name: N-[[(3E)-5-methyl-4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propan-2-yloxy-benzamide Openeye Name: 4-isopropoxy-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: N-[[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-propan-2-yloxybenzamide IUPAC Name: N-[[(3E)-5-methyl-4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-propan-2-yloxybenzamide Traditional Name: 4-isopropoxy-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C2NC3=C(O2)C=CC(=C3)C(C)C)C1=O)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C

Isomeric SMILES

CC1=CC(=C/C(=C\2/NC3=C(O2)C=CC(=C3)C(C)C)/C1=O)NC(=S)NC(=O)C4=CC=C(C=C4)OC(C)C

InChI

InChI=1S/C28H29N3O4S/c1-15(2)19-8-11-24-23(13-19)30-27(35-24)22-14-20(12-17(5)25(22)32)29-28(36)31-26(33)18-6-9-21(10-7-18)34-16(3)4/h6-16,30H,1-5H3,(H2,29,31,33,36)/b27-22+