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-yl-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-yl-benzamide Openeye Name: 4-isopropyl-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-ylbenzamide 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-ylbenzamide Traditional Name: 4-isopropyl-N-[[(3E)-3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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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)C(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)C(C)C

InChI

InChI=1S/C28H29N3O3S/c1-15(2)18-6-8-19(9-7-18)26(33)31-28(35)29-21-12-17(5)25(32)22(14-21)27-30-23-13-20(16(3)4)10-11-24(23)34-27/h6-16,30H,1-5H3,(H2,29,31,33,35)/b27-22+