1-[(2S)-2-methylheptyl]-3-[2-(4-nitrophenyl)ethanoylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[2-(4-nitrophenyl)ethanoylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[2-(4-nitrophenyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[[2-(4-nitrophenyl)acetyl]amino]thiourea Formula: C17H26N4O3S MolecularWeight: 366.47834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O3S/c1-3-4-5-6-13(2)12-18-17(25)20-19-16(22)11-14-7-9-15(10-8-14)21(23)24/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,22)(H2,18,20,25)/t13-/m0/s1