1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-nitrophenyl)amino]ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-nitroanilino)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-nitroanilino)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-nitroanilino)ethyl]thiourea Traditional Name: 1-[2-(4-nitroanilino)ethyl]-3-piperonyl-thiourea Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O4S/c22-21(23)14-4-2-13(3-5-14)18-7-8-19-17(26)20-10-12-1-6-15-16(9-12)25-11-24-15/h1-6,9,18H,7-8,10-11H2,(H2,19,20,26)