1-(1,3-benzodioxol-5-yl)-3-(4-chloranyl-3-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloranyl-3-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-chloro-3-nitro-phenyl)thiourea Formula: C14H10ClN3O4S MolecularWeight: 351.7649

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H10ClN3O4S/c15-10-3-1-8(5-11(10)18(19)20)16-14(23)17-9-2-4-12-13(6-9)22-7-21-12/h1-6H,7H2,(H2,16,17,23)