1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Openeye Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea CAS Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Traditional Name: 1-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=CC=CC=C1[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=CC=C1[N+](=O)[O-])/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N4O4S/c1-10(11-6-7-14-15(8-11)24-9-23-14)18-19-16(25)17-12-4-2-3-5-13(12)20(21)22/h2-8H,9H2,1H3,(H2,17,19,25)/b18-10-