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

Systemtic Name: 1-[[(2S)-2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoyl]amino]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[(2S)-2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoyl]amino]-3-(o-tolyl)thiourea CAS Name: 1-[[(2S)-2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[(2S)-2-(4-methyl-2-oxochromen-7-yl)oxypropanoyl]amino]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[(2S)-2-(2-keto-4-methyl-chromen-7-yl)oxypropanoyl]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)C(C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=O)[C@H](C)OC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C21H21N3O4S/c1-12-6-4-5-7-17(12)22-21(29)24-23-20(26)14(3)27-15-8-9-16-13(2)10-19(25)28-18(16)11-15/h4-11,14H,1-3H3,(H,23,26)(H2,22,24,29)/t14-/m0/s1