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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]thiourea Formula: C16H13ClN4O5S MolecularWeight: 408.81622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O5S/c17-10-6-5-9(21(23)24)7-11(10)18-16(27)20-19-15(22)14-8-25-12-3-1-2-4-13(12)26-14/h1-7,14H,8H2,(H,19,22)(H2,18,20,27)/t14-/m0/s1