1-[(2S)-2-methylheptyl]-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea

Systemtic Name: 1-[(2S)-2-methylheptyl]-3-[[4-(methylsulfanylmethyl)phenyl]carbonylamino]thiourea Openeye Name: 1-[(2S)-2-methylheptyl]-3-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea CAS Name: 1-[(2S)-2-methylheptyl]-3-[[[4-[(methylthio)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-methylheptyl]-3-[[4-(methylsulfanylmethyl)benzoyl]amino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-[[4-[(methylthio)methyl]benzoyl]amino]thiourea Formula: C18H29N3OS2 MolecularWeight: 367.57236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)CSC

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C1=CC=C(C=C1)CSC

InChI

InChI=1S/C18H29N3OS2/c1-4-5-6-7-14(2)12-19-18(23)21-20-17(22)16-10-8-15(9-11-16)13-24-3/h8-11,14H,4-7,12-13H2,1-3H3,(H,20,22)(H2,19,21,23)/t14-/m0/s1