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

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=S)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c21-20(22)13-7-15-14(23-10-24-15)6-12(13)9-18-19-16(25)17-8-11-4-2-1-3-5-11/h1-7,9H,8,10H2,(H2,17,19,25)/b18-9+