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

Systemtic Name: 1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-cyclopentyl-thiourea Openeye Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-cyclopentyl-thiourea CAS Name: 1-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-3-cyclopentylthiourea IUPAC Name: 1-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-3-cyclopentylthiourea Traditional Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-cyclopentyl-thiourea Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=S)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NNC(=S)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N5O3S/c25-18(21-22-19(28)20-15-7-3-4-8-15)14-9-10-16(17(13-14)24(26)27)23-11-5-1-2-6-12-23/h9-10,13,15H,1-8,11-12H2,(H,21,25)(H2,20,22,28)