1,1-dihexyl-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1,1-dihexyl-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1,1-dihexyl-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1,1-dihexyl-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1,1-dihexyl-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1,1-dihexyl-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C23H34N2O2S/c1-4-6-8-10-14-25(15-11-9-7-5-2)23(28)24-19-12-13-20-18(3)16-22(26)27-21(20)17-19/h12-13,16-17H,4-11,14-15H2,1-3H3,(H,24,28)