1-[(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]thiourea

Systemtic Name: 1-[(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]thiourea Openeye Name: [(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chroman-6-yl]thiourea CAS Name: [(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]thiourea IUPAC Name: [(3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]thiourea Traditional Name: [(3S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-yl]thiourea Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)NC(=S)N)N3CCCC3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)NC(=S)N)N3CCCC3=O)O)C

InChI

InChI=1S/C16H21N3O3S/c1-16(2)14(21)13(19-7-3-4-12(19)20)10-8-9(18-15(17)23)5-6-11(10)22-16/h5-6,8,13-14,21H,3-4,7H2,1-2H3,(H3,17,18,23)/t13?,14-/m0/s1