1-[[2-oxidanylidene-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiourea

Systemtic Name: 1-[[2-oxidanylidene-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiourea Openeye Name: [2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methylthiourea CAS Name: [2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-5-oxazolidinyl]methylthiourea IUPAC Name: [2-oxo-3-[4-(1,4-thiazepan-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylthiourea Traditional Name: [2-keto-3-[4-(1,4-thiazepan-4-yl)phenyl]oxazolidin-5-yl]methylthiourea Formula: C16H22N4O2S2 MolecularWeight: 366.50148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCSC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)N

Isomeric SMILES

C1CN(CCSC1)C2=CC=C(C=C2)N3CC(OC3=O)CNC(=S)N

InChI

InChI=1S/C16H22N4O2S2/c17-15(23)18-10-14-11-20(16(21)22-14)13-4-2-12(3-5-13)19-6-1-8-24-9-7-19/h2-5,14H,1,6-11H2,(H3,17,18,23)