1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea

Systemtic Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Openeye Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea CAS Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea IUPAC Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Traditional Name: 1-[(Z)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylideneamino]-3-(2-nitrophenyl)thiourea Formula: C18H18N4O4S MolecularWeight: 386.42492

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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)OCCCO3

Isomeric SMILES

C/C(=N/NC(=S)NC1=CC=CC=C1[N+](=O)[O-])/C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18N4O4S/c1-12(13-7-8-16-17(11-13)26-10-4-9-25-16)20-21-18(27)19-14-5-2-3-6-15(14)22(23)24/h2-3,5-8,11H,4,9-10H2,1H3,(H2,19,21,27)/b20-12-