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

Systemtic Name: 1-methyl-1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 3-benzyl-1-methyl-1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea CAS Name: 1-methyl-1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 3-benzyl-1-methyl-1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]thiourea Traditional Name: 3-benzyl-1-methyl-1-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiourea Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)/N=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H16N4O4S/c1-20(17(26)18-9-12-5-3-2-4-6-12)19-10-13-7-15-16(25-11-24-15)8-14(13)21(22)23/h2-8,10H,9,11H2,1H3,(H,18,26)/b19-10-