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1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]carbamothioylamino]thiourea

1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]carbamothioylamino]thiourea

Systemtic Name:1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]carbamothioylamino]thiourea
Openeye Name:1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]carbamothioylamino]thiourea
CAS Name:1-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-3-[(2R)-2-methylheptyl]thiourea
IUPAC Name:1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]carbamothioylamino]thiourea
Traditional Name:1-(3-bromophenyl)-3-[[(2R)-2-methylheptyl]thiocarbamoylamino]thiourea
Formula: C16H25BrN4S2
MolecularWeight: 417.4305
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H25BrN4S2/c1-3-4-5-7-12(2)11-18-15(22)20-21-16(23)19-14-9-6-8-13(17)10-14/h6,8-10,12H,3-5,7,11H2,1-2H3,(H2,18,20,22)(H2,19,21,23)/t12-/m1/s1


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