1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoylamino]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[2-(4,7-dimethyl-2-oxidanylidene-chromen-6-yl)oxyethanoylamino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[2-(4,7-dimethyl-2-oxo-chromen-6-yl)oxyacetyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[2-[(4,7-dimethyl-2-oxo-1-benzopyran-6-yl)oxy]-1-oxoethyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[2-(4,7-dimethyl-2-oxochromen-6-yl)oxyacetyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[2-(2-keto-4,7-dimethyl-chromen-6-yl)oxyacetyl]amino]-3-(o-tolyl)thiourea Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=O)COC2=C(C=C3C(=C2)C(=CC(=O)O3)C)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)COC2=C(C=C3C(=C2)C(=CC(=O)O3)C)C

InChI

InChI=1S/C21H21N3O4S/c1-12-6-4-5-7-16(12)22-21(29)24-23-19(25)11-27-17-10-15-13(2)9-20(26)28-18(15)8-14(17)3/h4-10H,11H2,1-3H3,(H,23,25)(H2,22,24,29)