1-methyl-3-[[3-(4-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea

Systemtic Name: 1-methyl-3-[[3-(4-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea Openeye Name: 1-methyl-3-[[4-oxo-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea CAS Name: 1-methyl-3-[[3-(4-methylphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]amino]thiourea IUPAC Name: 1-methyl-3-[[3-(4-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea Traditional Name: 1-[[4-keto-3-(p-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]-3-methyl-thiourea Formula: C26H29N5OS MolecularWeight: 459.60636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NC

InChI

InChI=1S/C26H29N5OS/c1-17-10-12-19(13-11-17)31-23(32)21-22(28-24(31)29-30-25(33)27-2)20-9-5-4-8-18(20)16-26(21)14-6-3-7-15-26/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,28,29)(H2,27,30,33)