1-[1-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethenylamino]thiourea

Systemtic Name: 1-[1-(6-hexyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethenylamino]thiourea Openeye Name: [1-(6-hexyl-7-hydroxy-2-oxo-chromen-3-yl)vinylamino]thiourea CAS Name: [1-(6-hexyl-7-hydroxy-2-oxo-1-benzopyran-3-yl)ethenylamino]thiourea IUPAC Name: [1-(6-hexyl-7-hydroxy-2-oxochromen-3-yl)ethenylamino]thiourea Traditional Name: [1-(6-hexyl-7-hydroxy-2-keto-chromen-3-yl)vinylamino]thiourea Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=C)NNC(=S)N)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=C)NNC(=S)N)O

InChI

InChI=1S/C18H23N3O3S/c1-3-4-5-6-7-12-8-13-9-14(11(2)20-21-18(19)25)17(23)24-16(13)10-15(12)22/h8-10,20,22H,2-7H2,1H3,(H3,19,21,25)