1-pentyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-pentyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(4-isopropylphenyl)-3-(pentylcarbamothioylamino)thiourea CAS Name: 1-pentyl-3-[[(4-propan-2-ylanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-pentyl-3-[(4-propan-2-ylphenyl)carbamothioylamino]thiourea Traditional Name: 1-amyl-3-(p-cumenylthiocarbamoylamino)thiourea Formula: C16H26N4S2 MolecularWeight: 338.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)C(C)C

Isomeric SMILES

CCCCCNC(=S)NNC(=S)NC1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C16H26N4S2/c1-4-5-6-11-17-15(21)19-20-16(22)18-14-9-7-13(8-10-14)12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,17,19,21)(H2,18,20,22)