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

Systemtic Name: 1-(2-butylphenyl)-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-(2-butylphenyl)-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-(2-butylphenyl)-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-(2-butylphenyl)-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-(2-butylphenyl)-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H22N2O2S/c1-3-4-7-15-8-5-6-9-18(15)23-21(26)22-16-10-11-17-14(2)12-20(24)25-19(17)13-16/h5-6,8-13H,3-4,7H2,1-2H3,(H2,22,23,26)