1-(4-ethoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Openeye Name: 1-(4-ethoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea CAS Name: 1-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-3-[(2S)-2-methylheptyl]thiourea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[(2S)-2-methylheptyl]carbamothioylamino]thiourea Traditional Name: 1-[(2S)-2-methylheptyl]-3-(p-phenetylthiocarbamoylamino)thiourea Formula: C18H30N4OS2 MolecularWeight: 382.587

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)OCC

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=S)NC1=CC=C(C=C1)OCC

InChI

InChI=1S/C18H30N4OS2/c1-4-6-7-8-14(3)13-19-17(24)21-22-18(25)20-15-9-11-16(12-10-15)23-5-2/h9-12,14H,4-8,13H2,1-3H3,(H2,19,21,24)(H2,20,22,25)/t14-/m0/s1