1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea

Systemtic Name: 1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)thiourea Openeye Name: 1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(4-methyl-2-oxo-chromen-7-yl)thiourea CAS Name: 1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(4-methyl-2-oxo-1-benzopyran-7-yl)thiourea IUPAC Name: 1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(4-methyl-2-oxochromen-7-yl)thiourea Traditional Name: 1-[(1S)-1-(4-tert-butylphenyl)ethyl]-3-(2-keto-4-methyl-chromen-7-yl)thiourea Formula: C23H26N2O2S MolecularWeight: 394.52974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)N[C@@H](C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H26N2O2S/c1-14-12-21(26)27-20-13-18(10-11-19(14)20)25-22(28)24-15(2)16-6-8-17(9-7-16)23(3,4)5/h6-13,15H,1-5H3,(H2,24,25,28)/t15-/m0/s1