N-[(4-oxidanylidenespiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)carbamothioyl]benzamide

Systemtic Name: N-[(4-oxidanylidenespiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)carbamothioyl]benzamide Openeye Name: N-[(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)carbamothioyl]benzamide CAS Name: N-[[(4-oxo-3-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)carbamothioyl]benzamide Traditional Name: N-[(4-ketospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-3-yl)thiocarbamoyl]benzamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C=N4)NC(=S)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C=N4)NC(=S)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2S/c30-22(17-9-3-1-4-10-17)27-24(32)28-29-16-26-21-19-12-6-5-11-18(19)15-25(20(21)23(29)31)13-7-2-8-14-25/h1,3-6,9-12,16H,2,7-8,13-15H2,(H2,27,28,30,32)