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

Systemtic Name: 1-(4-methyl-2-oxidanylidene-chromen-7-yl)-3-undecyl-thiourea Openeye Name: 1-(4-methyl-2-oxo-chromen-7-yl)-3-undecyl-thiourea CAS Name: 1-(4-methyl-2-oxo-1-benzopyran-7-yl)-3-undecylthiourea IUPAC Name: 1-(4-methyl-2-oxochromen-7-yl)-3-undecylthiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-undecyl-thiourea Formula: C22H32N2O2S MolecularWeight: 388.56668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

Isomeric SMILES

CCCCCCCCCCCNC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C22H32N2O2S/c1-3-4-5-6-7-8-9-10-11-14-23-22(27)24-18-12-13-19-17(2)15-21(25)26-20(19)16-18/h12-13,15-16H,3-11,14H2,1-2H3,(H2,23,24,27)