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

Systemtic Name: 1-[[4-(cyclopropylamino)-3-nitro-phenyl]carbonylamino]-3-pentyl-thiourea Openeye Name: 1-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]-3-pentyl-thiourea CAS Name: 1-[[[4-(cyclopropylamino)-3-nitrophenyl]-oxomethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[4-(cyclopropylamino)-3-nitro-benzoyl]amino]thiourea Formula: C16H23N5O3S MolecularWeight: 365.45052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O3S/c1-2-3-4-9-17-16(25)20-19-15(22)11-5-8-13(18-12-6-7-12)14(10-11)21(23)24/h5,8,10,12,18H,2-4,6-7,9H2,1H3,(H,19,22)(H2,17,20,25)