1-[(Z)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-3-(3-ethoxypropyl)thiourea

Systemtic Name: 1-[(Z)-(4-bromanyl-3-nitro-phenyl)methylideneamino]-3-(3-ethoxypropyl)thiourea Openeye Name: 1-[(Z)-(4-bromo-3-nitro-phenyl)methyleneamino]-3-(3-ethoxypropyl)thiourea CAS Name: 1-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-(3-ethoxypropyl)thiourea IUPAC Name: 1-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]-3-(3-ethoxypropyl)thiourea Traditional Name: 1-[(Z)-(4-bromo-3-nitro-benzylidene)amino]-3-(3-ethoxypropyl)thiourea Formula: C13H17BrN4O3S MolecularWeight: 389.26808

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NN=CC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC(=S)N/N=C\C1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H17BrN4O3S/c1-2-21-7-3-6-15-13(22)17-16-9-10-4-5-11(14)12(8-10)18(19)20/h4-5,8-9H,2-3,6-7H2,1H3,(H2,15,17,22)/b16-9-