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

Systemtic Name: 1-(furan-2-ylmethyl)-3-[[3-(2-methylphenyl)-4-oxidanylidene-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea Openeye Name: 1-(2-furylmethyl)-3-[[3-(o-tolyl)-4-oxo-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea CAS Name: 1-(2-furanylmethyl)-3-[[3-(2-methylphenyl)-4-oxo-2-spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]yl]amino]thiourea IUPAC Name: 1-(furan-2-ylmethyl)-3-[[3-(2-methylphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea Traditional Name: 1-(2-furfuryl)-3-[[4-keto-3-(o-tolyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]amino]thiourea Formula: C30H31N5O2S MolecularWeight: 525.66444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NCC6=CC=CO6

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2NNC(=S)NCC6=CC=CO6

InChI

InChI=1S/C30H31N5O2S/c1-20-10-3-6-14-24(20)35-27(36)25-26(32-28(35)33-34-29(38)31-19-22-12-9-17-37-22)23-13-5-4-11-21(23)18-30(25)15-7-2-8-16-30/h3-6,9-14,17H,2,7-8,15-16,18-19H2,1H3,(H,32,33)(H2,31,34,38)