3-methoxy-N-[[4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 3-methoxy-N-[[4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: 3-methoxy-N-[[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 3-methoxy-N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C29H25N3O4S MolecularWeight: 511.5915

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)N2

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC5=CC=CC=C5C=C4OC)N2

InChI

InChI=1S/C29H25N3O4S/c1-16(2)17-8-11-25-23(13-17)31-28(36-25)21-15-20(9-10-24(21)33)30-29(37)32-27(34)22-12-18-6-4-5-7-19(18)14-26(22)35-3/h4-16,31H,1-3H3,(H2,30,32,34,37)