1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenethyl-thiourea

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenethyl-thiourea Openeye Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenethyl-thiourea CAS Name: 1-[(3S)-1,1-dioxo-3-thiolanyl]-1-[(4-methoxyphenyl)methyl]-3-phenethylthiourea IUPAC Name: 1-[(3S)-1,1-dioxothiolan-3-yl]-1-[(4-methoxyphenyl)methyl]-3-phenethylthiourea Traditional Name: 1-[(3S)-1,1-diketothiolan-3-yl]-1-p-anisyl-3-phenethyl-thiourea Formula: C21H26N2O3S2 MolecularWeight: 418.57274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CN([C@H]2CCS(=O)(=O)C2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c1-26-20-9-7-18(8-10-20)15-23(19-12-14-28(24,25)16-19)21(27)22-13-11-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,22,27)/t19-/m0/s1