1-[(2S)-heptan-2-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[(2S)-heptan-2-yl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[(1S)-1-methylhexyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[(2S)-heptan-2-yl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[(2S)-heptan-2-yl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(2-keto-4-methyl-chromen-7-yl)-3-[(1S)-1-methylhexyl]thiourea Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC[C@H](C)NC(=S)NC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChI

InChI=1S/C18H24N2O2S/c1-4-5-6-7-13(3)19-18(23)20-14-8-9-15-12(2)10-17(21)22-16(15)11-14/h8-11,13H,4-7H2,1-3H3,(H2,19,20,23)/t13-/m0/s1