1-(2-chloranyl-5-nitro-phenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiourea Formula: C16H14ClN3O4S MolecularWeight: 379.81806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H14ClN3O4S/c17-12-6-5-10(20(21)22)7-13(12)19-16(25)18-8-11-9-23-14-3-1-2-4-15(14)24-11/h1-7,11H,8-9H2,(H2,18,19,25)/t11-/m1/s1