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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)NNC(=S)NCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)NNC(=S)NCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4S/c1-13-9-20(26)28-18-8-14(2)17(10-16(13)18)27-12-19(25)23-24-21(29)22-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,23,25)(H2,22,24,29)