1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-thiourea

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-thiourea Openeye Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-thiourea CAS Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylthiourea IUPAC Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylthiourea Traditional Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-thiourea Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N4O4S/c20-19(21)12-7-14-13(22-9-23-14)6-10(12)8-16-18-15(24)17-11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,18,24)/b16-8+