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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NCCCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-15-13-20(24)25-19-14-17(10-11-18(15)19)23-21(26)22-12-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-11,13-14H,5-6,9,12H2,1H3,(H2,22,23,26)