1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[[4-(methylamino)-3-nitro-phenyl]carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea CAS Name: 1-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[[4-(methylamino)-3-nitrobenzoyl]amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[[4-(methylamino)-3-nitro-benzoyl]amino]thiourea Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O3S/c1-9(2)6-7-16-14(23)18-17-13(20)10-4-5-11(15-3)12(8-10)19(21)22/h4-5,8-9,15H,6-7H2,1-3H3,(H,17,20)(H2,16,18,23)