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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

Isomeric SMILES

CCCCCNC(=S)NNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

InChI

InChI=1S/C19H29N5O3S/c1-3-4-5-10-20-19(28)22-21-18(25)16-13-15(24(26)27)6-7-17(16)23-11-8-14(2)9-12-23/h6-7,13-14H,3-5,8-12H2,1-2H3,(H,21,25)(H2,20,22,28)