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

Systemtic Name: 1-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]thiourea Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3S/c1-2-3-6-11-20-19(28)22-21-18(25)15-9-10-16(17(14-15)24(26)27)23-12-7-4-5-8-13-23/h9-10,14H,2-8,11-13H2,1H3,(H,21,25)(H2,20,22,28)