1-(3-methylbutyl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]thiourea

Systemtic Name: 1-(3-methylbutyl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitro-phenyl]carbonylamino]thiourea Openeye Name: 1-isopentyl-3-[[2-(4-methyl-1-piperidyl)-5-nitro-benzoyl]amino]thiourea CAS Name: 1-(3-methylbutyl)-3-[[[2-(4-methyl-1-piperidinyl)-5-nitrophenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]amino]thiourea Traditional Name: 1-isoamyl-3-[[2-(4-methylpiperidino)-5-nitro-benzoyl]amino]thiourea Formula: C19H29N5O3S MolecularWeight: 407.53026

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C19H29N5O3S/c1-13(2)6-9-20-19(28)22-21-18(25)16-12-15(24(26)27)4-5-17(16)23-10-7-14(3)8-11-23/h4-5,12-14H,6-11H2,1-3H3,(H,21,25)(H2,20,22,28)