1-[(Z)-[4-(azepan-1-yl)-3-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-[(Z)-[4-(azepan-1-yl)-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: [(Z)-[4-(azepan-1-yl)-3-nitro-phenyl]methyleneamino]thiourea CAS Name: [(Z)-[4-(1-azepanyl)-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: [(Z)-[4-(azepan-1-yl)-3-nitrophenyl]methylideneamino]thiourea Traditional Name: [(Z)-[4-(azepan-1-yl)-3-nitro-benzylidene]amino]thiourea Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C=NNC(=S)N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)/C=N\NC(=S)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N5O2S/c15-14(22)17-16-10-11-5-6-12(13(9-11)19(20)21)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8H2,(H3,15,17,22)/b16-10-