1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-tert-butyl-thiourea

Systemtic Name: 1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-tert-butyl-thiourea Openeye Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-tert-butyl-thiourea CAS Name: 1-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-3-tert-butylthiourea IUPAC Name: 1-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-3-tert-butylthiourea Traditional Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-tert-butyl-thiourea Formula: C18H27N5O3S MolecularWeight: 393.50368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O3S/c1-18(2,3)19-17(27)21-20-16(24)13-8-9-14(15(12-13)23(25)26)22-10-6-4-5-7-11-22/h8-9,12H,4-7,10-11H2,1-3H3,(H,20,24)(H2,19,21,27)