1-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-isopentyl-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea CAS Name: 1-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[(2-methoxy-5-nitrobenzoyl)amino]-3-(3-methylbutyl)thiourea Traditional Name: 1-isoamyl-3-[(2-methoxy-5-nitro-benzoyl)amino]thiourea Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-9(2)6-7-15-14(23)17-16-13(19)11-8-10(18(20)21)4-5-12(11)22-3/h4-5,8-9H,6-7H2,1-3H3,(H,16,19)(H2,15,17,23)